SCHEMBL9713949

SCHEMBL9713949

CCC(=O)Oc1cc(OC)c(OC(=O)CC)c2ccc(Cl)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.49
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
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
TUBA1C Q9BQE3 2/20 0.39
TUBB6 Q9BUF5 2/20 0.39
TUBB2B Q9BVA1 2/20 0.39
TUBB1 Q9H4B7 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
SCHEMBL9713895 0.86 ABCB11 (0.40) ABCB11LMNAALDH1A1KMT2ACYP1A2
SCHEMBL9713400 0.85 TOP2A (0.47) ABCB11KMT2AMEN1GAAALOX15
SCHEMBL9627723 0.84 ABCB11 (0.43) ABCB11LMNAALDH1A1KMT2AMEN1
SCHEMBL9644133 0.83 ABCB11 (0.70) ABCB11LMNAALDH1A1KMT2AMEN1
SCHEMBL9628154 0.83 HTT (0.44) LMNAALDH1A1KMT2AMEN1CYP1A2
SCHEMBL9629325 0.83 ABCB11 (0.42) ABCB11LMNAKMT2AMEN1CYP1A2
SCHEMBL9642820 0.82 ABCB11 (0.68) ABCB11LMNAALDH1A1KMT2AMEN1
SCHEMBL9629306 0.82 ABCB11 (0.68) ABCB11LMNAALDH1A1KMT2AMEN1
SCHEMBL9642288 0.82 ABCB11 (0.68) ABCB11LMNAALDH1A1KMT2AMEN1
SCHEMBL9659152 0.82 ABCB11 (0.52) ABCB11LMNAALDH1A1KMT2AMEN1

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