SCHEMBL9627969

SCHEMBL9627969

COc1cc(OC(C)=O)c2cc(Br)ccc2c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFSF11 O14788 1/20 0.45
TSHR P16473 1/20 0.41
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
LMNA P02545 1/20 0.40
NQO1 P15559 1/20 0.40
CFD P00746 2/20 0.40
ERN1 O75460 1/20 0.39
POLB P06746 1/20 0.39
NR3C1 P04150 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BACE1 P56817 1/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
HTT P42858 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
SCHEMBL9627790 0.85 HTT (0.47) TNFSF11TSHRCA12CA9NQO1
SCHEMBL9627715 0.84 TNFSF11 (0.46) TNFSF11TSHRLMNANQO1NR3C1
SCHEMBL9627675 0.82 ABCB11 (0.56) TNFSF11TSHRLMNANQO1ERN1
SCHEMBL9627905 0.82 TNFSF11 (0.45) TNFSF11TSHRLMNANQO1ERN1
SCHEMBL9629380 0.81 HTT (0.55) TNFSF11TSHRLMNAPOLBNR3C1
SCHEMBL9627351 0.80 TNFSF11 (0.43) TNFSF11TSHRLMNANQO1ERN1
SCHEMBL9628456 0.79 ABCC1 (0.45) TNFSF11LMNACFDPOLBMAPT
SCHEMBL9627440 0.78 TNFSF11 (0.50) TNFSF11TSHRCA12CA9LMNA
SCHEMBL9657971 0.78 HIF1A (0.44) LMNAERN1POLBALDH1A1MAPT
SCHEMBL9643201 0.77 ABCB11 (0.56) TSHRCA12CA9LMNAMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 US disclosed
US-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed
EP-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed