SCHEMBL8993268

SCHEMBL8993268

O=C(O)CCc1c(Cl)ccc2c1Cc1cc(Cl)ccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.53
SRD5A1 P18405 1/20 0.42
SRD5A2 P31213 1/20 0.42
GPR17 Q13304 3/20 0.42
FFAR1 O14842 4/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
METAP1 P53582 1/20 0.38
POLB P06746 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL27465439 0.74 HSP90AA1 (0.43) HSP90AA1SRD5A1SRD5A2SLC1A3SLC1A2
SCHEMBL11572533 0.71 AKR1B1 (0.53) HSP90AA1SRD5A1SRD5A2ALDH1A1KDM4E
SCHEMBL22558151 0.71 FFAR1 (0.46) GPR17FFAR1FFAR4FBP1
Acetic Acid SCHEMBL28167102 0.70 HSP90AA1 (0.57) HSP90AA1SRD5A1SRD5A2SLC1A3SLC1A2
SCHEMBL8993313 0.69 FFAR1 (0.40) GPR17FFAR1ALDH1A1TP53RXRA
SCHEMBL11681417 0.69 AKR1B1 (0.52) HSP90AA1SRD5A1SRD5A2SLC1A3SLC1A2
Acetic Acid SCHEMBL28536141 0.69 HSP90AA1 (0.44) HSP90AA1SRD5A1SRD5A2SLC1A3SLC1A2
SCHEMBL4699761 0.69 FFAR1 (0.49) GPR17FFAR1ALDH1A1TP53RXRA
SCHEMBL32689799 0.69 FFAR1 (0.49) GPR17FFAR1ALDH1A1TP53RXRA
SCHEMBL22660982 0.69 NPC1 (0.44) SRD5A2FFAR1SLC1A3SLC1A2SLC1A1

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
US-5519043-A ANTIINFLAMMATORY AGENTS WITH AMIDE, CARBAMATE OR THIOCARBAMATE GROUPS ON FLUORENE AND BENZENE SCIOS NOVA INC. (US) 1996-05-21 US disclosed
US-5472973-A Non-steroidal antiinflammatory agents SCIOS NOVA INC. (US) 1995-12-05 US disclosed
WO-1993011764-A1 FLUORENYL DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCIOS NOVA INC. (US) 1993-06-24 WO disclosed