SCHEMBL31440549

SCHEMBL31440549

COC(=O)c1cc(Oc2cc(C)cc(Br)c2)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
GAA P10253 3/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
P2RX3 P56373 1/20 0.38
NR4A2 P43354 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.35
SLC6A3 Q01959 1/20 0.35
LMNA P02545 2/20 0.35
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL14907284 0.85 KDM4E (0.49) CYP1A2CYP2C19KDM4ECYP2D6CYP2C9
SCHEMBL15028056 0.78 NR1H4 (0.53) CYP1A2CYP2C19KDM4ECYP2C9GAA
SCHEMBL2427949 0.77 HPGD (0.51) CYP1A2CYP2C19KDM4ECYP2D6CYP2C9
SCHEMBL31440653 0.75 HIF1A (0.39) GLO1CYP1A2CYP2C19KDM4ECYP2D6
SCHEMBL30017691 0.75 NR4A2 (0.53) CYP1A2CYP2C19KDM4ECYP2C9GAA
SCHEMBL146258 0.75 KDM4E (0.62) CYP1A2CYP2C19KDM4ECYP2D6CYP2C9
SCHEMBL29502160 0.75 KDM4E (0.62) CYP1A2CYP2C19KDM4ECYP2D6CYP2C9
SCHEMBL155514 0.75 NR4A2 (0.53) CYP1A2CYP2C19KDM4ECYP2C9GAA
SCHEMBL31440631 0.73 ALDH1A1 (0.50) GAAPOLBMAPTSMN1; SMN2HPGD
SCHEMBL31440620 0.73 NOTUM (0.43) GAAPOLBMAPTHPGDTDP1

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
WO-2025014200-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 티움바이오 2025-01-16 WO disclosed