SCHEMBL28737745

SCHEMBL28737745

Cc1c(O)cccc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
F10 P00742 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
GCGR P47871 1/20 0.44
TEAD1 P28347 3/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ATM Q13315 1/20 0.42
RECQL P46063 1/20 0.42
ICAM1 P05362 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
SCHEMBL8941708 0.87 AR (0.54) L3MBTL1MAPTNPSR1THRATHRB
SCHEMBL9590802 0.84 AR (0.51) L3MBTL1MAPTNPSR1THRATHRB
SCHEMBL9589393 0.84 AR (0.51) L3MBTL1MAPTNPSR1THRATHRB
SCHEMBL9589073 0.83 AR (0.53) L3MBTL1MAPTNPSR1THRATHRB
SCHEMBL5818265 0.80 RXFP1 (0.50) MAPTNPSR1THRATHRBALDH1A1
SCHEMBL1028223 0.78 POLB (0.48) L3MBTL1MAPTALDH1A1POLBKDM4E
SCHEMBL12732731 0.78 NPSR1 (0.50) L3MBTL1MAPTNPSR1THRATHRB
SCHEMBL15392450 0.78 L3MBTL1 (0.49) L3MBTL1MAPTNPSR1F10TEAD1
SCHEMBL19563690 0.78 L3MBTL1 (0.56) L3MBTL1MAPTNPSR1GCGRALDH1A1
SCHEMBL9798371 0.77 LTA4H (0.54) L3MBTL1MAPTNPSR1TEAD1ALDH1A1

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
CN-114502540-A TEAD inhibitors and uses thereof 医肯纳肿瘤学公司 2022-05-13 CN disclosed