SCHEMBL30456866

SCHEMBL30456866

COC(=O)c1cc(-c2ccc(OC)c(C(=O)O)c2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.50
KDM4E B2RXH2 3/20 0.48
APAF1 O14727 1/20 0.48
RECQL P46063 1/20 0.48
CASP6 P55212 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
MCL1 Q07820 1/20 0.48
CASP8 Q14790 1/20 0.48
IDO1 P14902 6/20 0.47
NR1I2 O75469 1/20 0.47
CYP2C8 P10632 1/20 0.47
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
FABP4 P15090 1/20 0.44
KMT2A Q03164 1/20 0.43
SYK P43405 1/20 0.43
ACLY P53396 2/20 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
SCHEMBL25704194 1.00 CFD (0.50) CFDKDM4EAPAF1RECQLCASP6
SCHEMBL4600237 0.84 LMNA (0.60) CFDKDM4EAPAF1RECQLCASP6
SCHEMBL2769498 0.84 CFD (0.67) CFDKDM4EAPAF1RECQLCASP6
SCHEMBL25704193 0.83 NR1I2 (0.40) KDM4EIDO1NR1I2CYP2C8KMT2A
SCHEMBL30456588 0.83 NR1I2 (0.40) KDM4EIDO1NR1I2CYP2C8KMT2A
SCHEMBL22319386 0.81 NR4A2 (0.55) KDM4EMCL1LMNAKMT2AACLY
SCHEMBL11692501 0.81 CFD (0.56) CFDKDM4EAPAF1RECQLCASP6
SCHEMBL12325928 0.80 CFD (0.54) CFDKDM4EAPAF1RECQLCASP6
SCHEMBL25422113 0.80 SLC6A3 (0.48) CFDKDM4EAPAF1RECQLCASP6
SCHEMBL4602511 0.79 CFD (0.50) CFDKDM4EAPAF1RECQLCASP6

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-4448508-A1 BENZOTHIOPHENE DERIVATIVES AS RXFP1 AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 EP disclosed
CN-118647606-A Benzothiophene derivatives as RXFP1 agonists 百时美施贵宝公司 2024-09-13 CN disclosed
WO-2023114823-A1 BENZOTHIOPHENE DERIVATIVES AS RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed