SCHEMBL9713327

SCHEMBL9713327

CCCCOc1c(CCCC)c(OC(C)=O)c2cc(C)ccc2c1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTT P42858 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CCNE2 O96020 2/20 0.38
▸ CCNE1 P24864 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ LDHA P00338 1/20 0.37
▸ LDHB P07195 1/20 0.37
▸ ALOX5 P09917 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ TP53 P04637 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
SCHEMBL9627724 0.84 ALOX5 (0.48) ABCB11HTTMAPTLDHALDHB
SCHEMBL9627592 0.82 ABCB11 (0.51) ABCB11ALDH1A1KDM4ENPC1HPGD
SCHEMBL9627596 0.78 KDM4E (0.51) ALDH1A1KDM4ESMN1; SMN2HTTMAPT
SCHEMBL9643010 0.76 ABCB11 (0.65) ABCB11ALDH1A1MEN1KMT2AALOX5
SCHEMBL30434152 0.76 ABCB11 (0.53) ABCB11ALDH1A1KDM4ENPC1HPGD
SCHEMBL20398581 0.76 ABCB11 (0.53) ABCB11ALDH1A1KDM4ENPC1HPGD
SCHEMBL20398612 0.76 ABCB11 (0.53) ABCB11ALDH1A1KDM4ENPC1HPGD
SCHEMBL9641994 0.75 ABCB11 (0.63) ABCB11ALDH1A1MEN1KMT2AALOX5
SCHEMBL9642059 0.75 ABCB11 (0.63) ABCB11ALDH1A1MEN1KMT2AALOX5
SCHEMBL9629355 0.75 LDHA (0.48) ABCB11ALDH1A1KDM4ESMN1; SMN2HTT

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-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 — — US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 — — EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 — — EP disclosed
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