SCHEMBL8479737

SCHEMBL8479737

COCOc1ccc(N2CCCC2)c(F)c1C(O)c1ccc(C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.39
RARB P10826 4/20 0.39
RARG P13631 4/20 0.39
ERAP1 Q9NZ08 4/20 0.39
EGFR P00533 1/20 0.39
MAPT P10636 4/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 3/20 0.35
PTGER4 P35408 1/20 0.35
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8480277 0.99 ERAP1 (0.40) RARARARBRARGERAP1EGFR
SCHEMBL8478789 0.82 EGFR (0.42) RARGEGFRTSHRRAB9APTGER4
SCHEMBL8481716 0.82 LMNA (0.43) EGFRMAPTL3MBTL1ALDH1A1TSHR
SCHEMBL8476017 0.82 ERAP1 (0.44) RARARARBRARGERAP1EGFR
SCHEMBL8480189 0.81 ERAP1 (0.46) RARARARBRARGERAP1EGFR
SCHEMBL28465766 0.73 TSHR (0.43) POLBL3MBTL1TSHRRAB9ANPC1
SCHEMBL8476996 0.73 EGFR (0.44) EGFRTSHRRAB9APTGER4
SCHEMBL4630972 0.73 EGFR (0.41) EGFRMAPTGAATSHRRAB9A
SCHEMBL8136099 0.72 RAB9A (0.46) ERAP1EGFRMAPTKDM4EALDH1A1
SCHEMBL8121917 0.72 RAB9A (0.48) ERAP1EGFRMAPTKDM4EALDH1A1

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-5914406-A ENZYME INHIBITOR; USEFUL FOR TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA HOFFMAN-LA ROCHE INC. (US) 1999-06-22 US disclosed
US-5750706-A TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA HOFFMANN-LA ROCHE INC. (US) 1998-05-12 US disclosed
US-5583222-A ANTIINFLAMMATORY AGENTS FOR TREATMENT OF SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 US disclosed