SCHEMBL858

SCHEMBL858

O=COC(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.42
HTT P42858 2/20 0.41
SCN1A P35498 3/20 0.41
SCN2A Q99250 3/20 0.41
SCN3A Q9NY46 3/20 0.41
LMNA P02545 2/20 0.41
ADRA1A P35348 2/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
TSHR P16473 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
SLC6A2 P23975 1/20 0.41
HRH2 P25021 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL10708013 0.98 HTT (0.44) CYP2D6HTTSCN1ASCN2ASCN3A
SCHEMBL5536665 0.88 IDO1 (0.45) SLC6A2SLC6A4SLC6A3KMT2AIDO1
SCHEMBL5537752 0.88 IDO1 (0.58) CYP2D6HTTLMNAADRA1ACYP1A2
SCHEMBL468391 0.88 HTT (0.35) CYP2D6HTTSCN1ASCN2ASCN3A
SCHEMBL5545086 0.83 ACP3 (0.46) LMNADRD3KMT2AIDO1TDO2
SCHEMBL29020277 0.83 DUT (0.35) CYP2D6HTTSCN1ASCN2ASCN3A
SCHEMBL5541595 0.83 IDO1 (0.60) KDM4EIDO1TDO2
SCHEMBL11352221 0.83 UGT2B7 (0.42) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL959684 0.81 DPP4 (0.44) CYP2D6ADRA2AHTR2AKMT2AIDO1
SCHEMBL15181483 0.81 DPP4 (0.44) CYP2D6ADRA2AHTR2AKMT2AIDO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 7471 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326740-A1 PEPTIDE NUCLEIC ACIDS, SYNTHESIS, AND USES THEREOF Ongogenuity, Inc. (US) 2024-02-28 EP claimed
CN-116120759-A Method for synthesizing anthracene fluorescent dye 岱纳科技(北京)有限公司 2023-05-16 CN claimed
US-20230108350-A1 METHOD FOR PRODUCING PNA OLIGOMER IN SOLUTION PROCESS SEASUNBIO MATERIALS (KP) 2023-04-06 US claimed
EP-4136083-A1 THYCLOTIDES The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2023-02-22 EP claimed
CN-114671798-B Green synthesis method of antiviral drug intermediate 上海皓元医药股份有限公司 2022-08-16 CN claimed
CN-114901673-A Method for preparing solution phase peptide nucleic acid oligomer 海阳生物材料有限公司 2022-08-12 CN claimed
US-20220202800-A1 Method of Treatment of Organic Acidemias and Other Mitochondria Defects or Deficiencies UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2022-06-30 US claimed
CN-114671798-A Green synthesis method of antiviral drug intermediate 上海皓元医药股份有限公司 2022-06-28 CN claimed
US-20210369632-A1 Discoidal Nano Universal Platform for Efficient Delivery of PNAs NATIONAL SCIENCE FOUNDATION 2021-12-02 US claimed
WO-2021211786-A1 THYCLOTIDES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-10-21 WO claimed
US-4024249-A FOR COMBATTING MICROORGANISMS CIBA-GEIGY CORPORATION (US) 1977-05-17 US claimed
US-4017488-A Process for preparing 7β-acylamino-7α-alkoxycephalosporins SANKYO COMPANY LIMITED (JA) 1977-04-12 US claimed
US-4012380-A 7-Acylamino-3-acyl-2(or 3)cephems ELI LILLY AND COMPANY (US) 1977-03-15 US claimed
US-4012345-A POLYPEPTIDES WHICH INHIBIT SECRETION OF GROWTH HORMONE SOMATOTROPIN AMERICAN HOME PRODUCTS CORPORATION (US) 1977-03-15 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-4001239-A CEPHALOSPORIN CLEAVAGE PROCESS ELI LILLY AND COMPANY (US) 1977-01-04 US claimed
US-3997517-A PEPTIDE AMERICAN HOME PRODUCTS CORPORATION (US) 1976-12-14 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed
US-3978063-A 1,2,3,4-Tetrahydroisoquinoline derivatives and the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-08-31 US claimed
US-3951951-A Azetidinones BEECHAM GROUP LIMITED (EN) 1976-04-20 US claimed