SCHEMBL8343766

SCHEMBL8343766

CCCCC(CC(C)c1cc(OC)ccc1OC)NC(=O)Nc1c(SC)cc(C)nc1SC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.38
▸ TAS1R1 Q7RTX1 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ LPAR1 Q92633 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NCOA2 Q15596 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33

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
SCHEMBL8338762 0.88 FPR1 (0.34) LPAR1HTTSOAT1
SCHEMBL8343999 0.85 SOAT1 (0.38) TAS1R3TAS1R1LMNACYP2C9SMN1; SMN2
SCHEMBL8338349 0.83 SOAT1 (0.35) TAS1R3TAS1R1KMT2ACYP2C9NPSR1
SCHEMBL8523783 0.81 SOAT1 (0.39) MEN1KMT2ACYP2C9SMN1; SMN2SOAT1
SCHEMBL8344420 0.81 KMT2A (0.36) ALDH1A1LMNACYP1A2MEN1KMT2A
SCHEMBL8340821 0.80 KMT2A (0.36) ALDH1A1LMNACYP1A2MEN1KMT2A
SCHEMBL8341100 0.77 MEN1 (0.39) TAS1R3TAS1R1ALDH1A1LMNAMEN1
SCHEMBL8339156 0.76 SOAT1 (0.38) TAS1R3TAS1R1CYP2C9SOAT1
SCHEMBL8341093 0.71 KMT2A (0.37) ALDH1A1LPAR1MEN1KMT2ASMN1; SMN2
SCHEMBL7734588 0.71 GRM2 (0.38) MEN1KMT2AHTTMAPTCYP3A4

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-6001860-A N-aryl and N-heteroarylurea derivatives as inhibitors of acyl coenzyme A: Cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1999-12-14 — — US claimed
US-6001860-A N-aryl and N-heteroarylurea derivatives as inhibitors of acyl coenzyme A: Cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1999-12-14 — — US disclosed
WO-1993024458-A1 NEW N-ARYL AND N-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1993-12-09 — — WO disclosed
Send feedback