SCHEMBL9713401

SCHEMBL9713401

CCC(C)Oc1cc(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.51
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
DHODH Q02127 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 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
SCHEMBL9643015 0.85 ABCB11 (0.63) ABCB11HTTSMN1; SMN2DHODHALDH1A1
SCHEMBL9628228 0.85 HTT (0.57) HTTSMN1; SMN2DHODHALDH1A1KDM4E
SCHEMBL9628176 0.82 ABCB11 (0.56) ABCB11HTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9643064 0.81 ABCB11 (0.54) ABCB11HTTSMN1; SMN2DHODHALDH1A1
SCHEMBL9629306 0.80 ABCB11 (0.68) ABCB11HTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9713395 0.79 ABCB11 (0.52) ABCB11HTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9713667 0.79 ABCB11 (0.65) ABCB11HTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9642690 0.78 ABCB11 (0.54) ABCB11HTTSMN1; SMN2DHODHALDH1A1
SCHEMBL10337090 0.78 ABCB11 (0.54) ABCB11HTTSMN1; SMN2DHODHALDH1A1
SCHEMBL9642245 0.78 ABCB11 (0.54) ABCB11HTTSMN1; SMN2DHODHALDH1A1

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