SCHEMBL9628166

SCHEMBL9628166

CCCc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.72
SIRT1 Q96EB6 3/20 0.40
ALOX5 P09917 2/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34

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
SCHEMBL9627448 1.00 ABCB11 (0.72) ABCB11SIRT1ALOX5LMNAKDM4E
SCHEMBL9628133 0.90 ABCB11 (0.61) ABCB11SIRT1ALOX5LMNAKDM4E
SCHEMBL9629384 0.90 ABCB11 (0.65) ABCB11SIRT1ALOX5LMNAKDM4E
SCHEMBL9627592 0.86 ABCB11 (0.51) ABCB11ALOX5LMNAKDM4ESMN1; SMN2
Lonapalene SCHEMBL120134 0.85 ABCB11 (1.00) ABCB11LMNAKDM4ESMN1; SMN2HTT
SCHEMBL9627987 0.85 ABCB11 (0.50) ABCB11ALOX5KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9628241 0.84 KDM4E (0.50) ABCB11ALOX5KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9641851 0.83 ABCB11 (0.97) ABCB11LMNAKDM4ESMN1; SMN2HTT
SCHEMBL9642681 0.83 ABCB11 (0.97) ABCB11LMNAKDM4ESMN1; SMN2HTT
SCHEMBL9643774 0.82 ABCB11 (0.81) ABCB11LMNAKDM4ESMN1; SMN2ALDH1A1

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