SCHEMBL7475004

SCHEMBL7475004

COC=C(C(=O)OC)c1cccc(Cl)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.42
MT-CO2 P00403 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
TTR P02766 1/20 0.42
PLA2G1B P04054 1/20 0.42
CYP1A2 P05177 1/20 0.42
PGR P06401 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
HTR2A P28223 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL27209009 1.00 PTGS2 (0.42) PTGS2MT-CO2MAPTMEN1USP2
SCHEMBL7659208 1.00 PTGS2 (0.42) PTGS2MT-CO2MAPTMEN1USP2
SCHEMBL31607697 1.00 PTGS2 (0.42) PTGS2MT-CO2MAPTMEN1USP2
SCHEMBL7659211 0.88 PTGS2 (0.44) PTGS2MT-CO2MAPTMEN1USP2
SCHEMBL31607659 0.82 NPC1 (0.36) MEN1HPGDKMT2AKDM4EALDH1A1
SCHEMBL27209010 0.82 NPC1 (0.36) MEN1HPGDKMT2AKDM4EALDH1A1
SCHEMBL31711603 0.82 ESR1 (0.41) KMT2ATAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL31607676 0.80 KMT2A (0.37) MAPTLMNACYP1A2CYP3A4CYP2C9
SCHEMBL27208812 0.80 KMT2A (0.37) MAPTLMNACYP1A2CYP3A4CYP2C9
SCHEMBL31607669 0.80 KMT2A (0.37) MAPTLMNACYP1A2CYP3A4CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0830342-B1 AZOLYL OXYBENZYL ALKOXYACRYLIC ACID ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE BASF AG (DE) 2002-10-09 EP disclosed
US-6380231-B1 FOR CONTROLLING ANIMAL AND FUNGAL PESTS BASF AKTIENGESELLSCAHFT (DE) 2002-04-30 US disclosed
US-5935986-A PESTICIDES, FUNGICIDES; ETHERIFICATION BASF AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed