SCHEMBL10656972

SCHEMBL10656972

CCCCOc1cc(CC)c(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.50
PLA2G2A P14555 1/20 0.50
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
PLA2G4B P0C869 2/20 0.45
RARB P10826 4/20 0.45
RARA P10276 1/20 0.45
MCL1 Q07820 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL10662625 0.92 KMT2A (0.46) PTPN11PLA2G2ATP53TSHRRARB
SCHEMBL8231553 0.84 PLA2G2A (0.50) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL27761938 0.83 PTPN11 (0.49) PTPN11PLA2G2ATP53TSHRPLA2G4B
SCHEMBL9064238 0.81 PTPN11 (0.59) PTPN11PLA2G2ATP53TSHRPLA2G4B
SCHEMBL10661049 0.81 KMT2A (0.42) PTPN11PLA2G2AKDM4EALDH1A1RAB9A
SCHEMBL1262936 0.80 PTGES (0.45) MCL1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL29173955 0.80 PLA2G2A (0.56) PTPN11PLA2G2ATP53TSHRPLA2G4B
SCHEMBL8645733 0.79 PLA2G2A (0.59) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL13215464 0.78 PLA2G2A (0.57) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL8974262 0.78 PTPN11 (0.64) PTPN11PLA2G2ATP53TSHRPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4745116-A INHIBITORS OF SERINE PROTEASE SYNTEX (U.S.A.) INC. (US) 1988-05-17 US disclosed