SCHEMBL9629259

SCHEMBL9629259

CCc1c(OC)c(O)c2ccc(OC)cc2c1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.45
BACE1 P56817 3/20 0.43
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
F2 P00734 1/20 0.40
GLA P06280 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC22A12 Q96S37 4/20 0.39
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39
TUBB8 Q3ZCM7 2/20 0.39
TUBA3E Q6PEY2 2/20 0.39
TUBA1A Q71U36 2/20 0.39

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
SCHEMBL9629261 0.89 ABCB11 (0.54) ABCB11BACE1ALDH1A1HPGDF2
SCHEMBL9642480 0.85 ABCB11 (0.57) ABCB11BACE1ALDH1A1HPGDF2
SCHEMBL9629409 0.84 ABCB11 (0.48) ABCB11BACE1ALDH1A1HPGDF2
SCHEMBL9628130 0.83 KDM4E (0.52) ABCB11BACE1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9657675 0.82 NQO1 (0.44) ALDH1A1HPGDKDM4ESLC22A12TUBB4A
SCHEMBL9713977 0.80 ABCB11 (0.44) ABCB11BACE1ALDH1A1HPGDKDM4E
SCHEMBL9643550 0.79 ABCB11 (0.57) ABCB11BACE1ALDH1A1HPGDF2
SCHEMBL9642665 0.78 ABCB11 (0.69) ABCB11BACE1ALDH1A1HPGDF2
SCHEMBL9629355 0.77 LDHA (0.48) ABCB11BACE1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9627870 0.77 ABCB11 (0.46) ABCB11BACE1ALDH1A1HPGDF2

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-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282056-A2 Naphthalene 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