SCHEMBL9305611

SCHEMBL9305611

COC(=O)C(Cc1c(C)cc(O)cc1C)NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.45
LNPEP Q9UIQ6 3/20 0.40
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NLRP3 Q96P20 1/20 0.39
LCK P06239 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ERAP2 Q6P179 2/20 0.38
ERAP1 Q9NZ08 1/20 0.38

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
SCHEMBL9304859 1.00 TACR1 (0.45) TACR1LNPEPMDM4MDM2CYP3A4
SCHEMBL21627155 0.87 TACR1 (0.44) TACR1LNPEPTAS1R3TAS1R1ERAP2
SCHEMBL10477398 0.87 CYP3A4 (0.42) TACR1CYP3A4TDP1TAS1R3TAS1R1
SCHEMBL18655444 0.84 LMNA (0.45) TACR1SMN1; SMN2
SCHEMBL16870009 0.84 TACR1 (0.40) TACR1LCKTAS1R3TAS1R1
SCHEMBL9305186 0.84 TACR1 (0.40) TACR1LCKTAS1R3TAS1R1
SCHEMBL10477507 0.83 TACR1 (0.46) TACR1TAS1R3TAS1R1
SCHEMBL23375845 0.82 KLK5 (0.47) TACR1MDM4MDM2SMN1; SMN2
SCHEMBL28569264 0.82 KLK5 (0.47) TACR1MDM4MDM2SMN1; SMN2
SCHEMBL5115246 0.76 OPRD1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5364850-A Analgesics G. D. SEARLE & CO. (US) 1994-11-15 US disclosed
US-5272175-A Substituted tyrosyl diamide compounds G. D. SEARLE & CO. (US) 1993-12-21 US disclosed