SCHEMBL28892808

SCHEMBL28892808

Cc1ccc(C(CCCC(=O)O)c2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
TBXA2R P21731 4/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TBXAS1 P24557 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.45
CYP19A1 P11511 1/20 0.44
CASR P41180 1/20 0.43
FFAR1 O14842 2/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL8402189 0.88 KMT2A (0.52) KMT2ACNR1CNR2SLC6A3L3MBTL1
SCHEMBL2743314 0.87 KMT2A (0.47) KMT2AL3MBTL1TSHRFFAR1
SCHEMBL279848 0.84 KMT2A (0.44) KMT2ATBXA2RL3MBTL1TSHRFFAR1
SCHEMBL2538851 0.82 TBXAS1 (0.47) TBXA2RCNR1CNR2SLC6A3TBXAS1
SCHEMBL5494762 0.82 FFAR1 (0.48) KMT2AL3MBTL1TSHRFFAR1
SCHEMBL69788 0.82 FFAR1 (0.48) KMT2ATBXAS1L3MBTL1TSHRFFAR1
SCHEMBL5692956 0.82 TBXAS1 (0.63) TBXA2RCNR1CNR2SLC6A3TBXAS1
Adipic Acid SCHEMBL3804252 0.81 KMT2A (0.61) KMT2AL3MBTL1TSHRFFAR1RAB9A
Adipic Acid SCHEMBL27731397 0.81 KMT2A (0.61) KMT2AL3MBTL1TSHRFFAR1RAB9A
SCHEMBL67079 0.81 TBXA2R (0.58) TBXA2RSLC6A3TBXAS1TSHRRAB9A

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-112574208-B Substituted fused tricyclic derivatives, compositions and uses thereof 深圳市塔吉瑞生物医药有限公司 2022-09-13 CN disclosed