SCHEMBL9629261

SCHEMBL9629261

CCc1c(OC)c(OC(C)=O)c2cc(OC)ccc2c1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.54
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 0.41
TUBB6 Q9BUF5 2/20 0.41
TUBB2B Q9BVA1 2/20 0.41
TUBB1 Q9H4B7 2/20 0.41
BACE1 P56817 3/20 0.40

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
SCHEMBL9629259 0.89 ABCB11 (0.45) ABCB11ALDH1A1KDM4ESMN1; SMN2TUBB4A
SCHEMBL9629409 0.89 ABCB11 (0.48) ABCB11ALDH1A1KDM4ESMN1; SMN2TUBB4A
SCHEMBL9713977 0.87 ABCB11 (0.44) ABCB11ALDH1A1KDM4ESMN1; SMN2BACE1
SCHEMBL9642665 0.87 ABCB11 (0.69) ABCB11ALDH1A1KDM4ESMN1; SMN2TUBB4A
SCHEMBL9629394 0.84 KDM4E (0.56) ABCB11ALDH1A1KDM4ESMN1; SMN2BACE1
SCHEMBL9627870 0.82 ABCB11 (0.46) ABCB11ALDH1A1KDM4ETUBB4ATUBB
SCHEMBL9642480 0.78 ABCB11 (0.57) ABCB11ALDH1A1KDM4ESMN1; SMN2TUBB4A
SCHEMBL9643550 0.78 ABCB11 (0.57) ABCB11ALDH1A1KDM4ESMN1; SMN2TUBB4A
SCHEMBL10458777 0.77 ABCB11 (0.51) ABCB11ALDH1A1KDM4ESMN1; SMN2TUBB4A
SCHEMBL9642621 0.77 ABCB11 (0.48) ABCB11ALDH1A1KDM4ESMN1; SMN2HPGD

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