SCHEMBL8604333

SCHEMBL8604333

CC(C)(C)CC(=O)c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 8/20 0.55
PTPN1 P18031 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ABL1 P00519 1/20 0.52
POLB P06746 1/20 0.52
ALPI P09923 1/20 0.52
GAA P10253 1/20 0.52
ALPG P10696 1/20 0.52
APEX1 P27695 1/20 0.52
CASP3 P42574 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
CASP7 P55210 1/20 0.52
CASP6 P55212 1/20 0.52
MCL1 Q07820 1/20 0.52
RIN1 Q13671 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL9733475 0.83 HSD17B3 (0.52) HSD17B3PTPN1NPC1RAB9AKDM4E
SCHEMBL5458729 0.83 TSHR (0.52) ALDH1A1HPGD
SCHEMBL507049 0.83 NPC1 (0.58) NPC1RAB9AALDH1A1GAATDP1
SCHEMBL6656619 0.82 HSD17B3 (0.50) HSD17B3PTPN1NPC1RAB9AKDM4E
SCHEMBL10021822 0.81 TPMT (0.46) NPC1RAB9AMAPT
SCHEMBL12243016 0.81 RAB9A (0.61) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL14041429 0.81 LMNA (0.46) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL11989218 0.81 NPC1 (0.55) PTPN1NPC1RAB9AALDH1A1LMNA
SCHEMBL10453790 0.81 HAO1 (0.46) HSD17B3NPC1RAB9AALDH1A1GAA
SCHEMBL10452926 0.81 GSK3B (0.57) NPC1RAB9AKDM4EALDH1A1POLB

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

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220032256-A1 DEVICES AND METHODS FOR LIGHT-DIRECTED POLYMER SYNTHESIS Twist Bioscience Corporation 2022-02-03 US disclosed
US-RE46170-E1 Insulin derivatives NOVO NORDISK A/S (DK) 2016-10-04 US disclosed
US-RE46170-E1 Insulin derivatives NOVO NORDISK A/S (DK) 2016-10-04 US disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
US-5393923-A Enzyme inhibitor; treating arthritis and inflammation WARNER-LAMBERT COMPANY (US) 1995-02-28 US disclosed