SCHEMBL9000708

SCHEMBL9000708

COc1ccc(CSC(C(=O)Nc2c(SC)cc(C)nc2SC)c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ PTGES O14684 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TP53 P04637 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
SCHEMBL9000423 0.92 EPHX1 (0.44) EPHX1MAPTSMN1; SMN2LMNAMMP13
SCHEMBL9000768 0.91 EPHX1 (0.41) EPHX1MAPTSMN1; SMN2LMNAMMP13
SCHEMBL9000729 0.91 EPHX1 (0.41) EPHX1MAPTSMN1; SMN2LMNAMMP13
SCHEMBL9000671 0.90 EPHX1 (0.34) EPHX1MAPTLMNAHTTPTGES
SCHEMBL9000839 0.90 SOAT1 (0.38) MAPTSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL9000878 0.88 EPHX1 (0.41) EPHX1MAPTSMN1; SMN2LMNAMMP13
SCHEMBL9000458 0.88 EPHX1 (0.41) EPHX1MAPTSMN1; SMN2LMNAMMP13
SCHEMBL9000398 0.88 EPHX1 (0.47) EPHX1MAPTSMN1; SMN2LMNAL3MBTL1
SCHEMBL9000898 0.86 EPHX1 (0.46) EPHX1MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL9000777 0.85 KMT2A (0.37) LMNAMEN1KMT2ACYP1A2TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583147-A INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL O-TRANSFERASE; ANTIHYPERCHOLESTEROLEMIC AND/OR ANTIATHEROSCLEROTIC AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-10 — — US disclosed
Send feedback