SCHEMBL8993336

SCHEMBL8993336

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.36
FFAR1 O14842 5/20 0.33
RXRA P19793 5/20 0.33
RXRB P28702 5/20 0.33
RXRG P48443 5/20 0.33
FFAR4 Q5NUL3 5/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
CYP26A1 O43174 1/20 0.32
CYP26B1 Q9NR63 1/20 0.32
GMNN O75496 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32

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
SCHEMBL22660982 0.74 NPC1 (0.44) FFAR1FFAR4MMP12MMP13ALDH1A1
SCHEMBL8993268 0.72 HSP90AA1 (0.53) POLBHSP90AA1FFAR1RXRARXRB
SCHEMBL876624 0.72 PNMT (0.46) HSP90AA1MMP12MMP13ALDH1A1LMNA
SCHEMBL8920110 0.71 RAB9A (0.37) POLBHSP90AA1ALDH1A1LMNAMAPT
SCHEMBL27399387 0.70 TSHR (0.42) POLBALDH1A1LMNAMAPTTSHR
SCHEMBL1115123 0.70 CYP1A2 (0.56) POLBFFAR1RXRARXRBRXRG
SCHEMBL22558151 0.68 FFAR1 (0.46) FFAR1FFAR4MMP12MMP13LMNA
SCHEMBL7338733 0.68 HSP90AA1 (0.43) HSP90AA1FFAR1RXRARXRBRXRG
SCHEMBL27426495 0.66 SRD5A2 (0.57) FFAR1FFAR4MMP12MMP13ALDH1A1
SCHEMBL28300195 0.65 MAPT (0.45) MAPTSMN1; SMN2

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