SCHEMBL11370877

SCHEMBL11370877

CC1c2ccc(C(=O)c3ccccc3)cc2CC1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PBRM1 Q86U86 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
PTGS1 P23219 2/20 0.40
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
PTGS2 P35354 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL11374291 0.83 ATM (0.47) ATMTDP1L3MBTL1PBRM1FFAR4
SCHEMBL4426521 0.78 HDAC3 (0.49) ALDH1A1MAPTSMN1; SMN2LMNACYP3A4
SCHEMBL4426518 0.78 HDAC3 (0.49) ALDH1A1MAPTSMN1; SMN2LMNACYP3A4
SCHEMBL4426516 0.78 HDAC3 (0.49) ALDH1A1MAPTSMN1; SMN2LMNACYP3A4
Hydrochloric Acid SCHEMBL9527737 0.77 HDAC3 (0.48) MAPTSMN1; SMN2CYP3A4MAPK1GAA
SCHEMBL26817317 0.76 EDNRB (0.43) TDP1L3MBTL1PLA2G1BATG4BALDH1A1
SCHEMBL26816636 0.76 EDNRB (0.43) TDP1L3MBTL1PLA2G1BATG4BALDH1A1
SCHEMBL26816647 0.76 EDNRB (0.43) TDP1L3MBTL1PLA2G1BATG4BALDH1A1
SCHEMBL11359606 0.71 ATM (0.50) ATMTDP1L3MBTL1PBRM1ALDH1A1
Hydrochloric Acid SCHEMBL11374295 0.70 ATM (0.48) ATMTDP1L3MBTL1PBRM1ALDH1A1

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
US-4269848-A ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIPYRETICS LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1981-05-26 US disclosed