SCHEMBL31513086

SCHEMBL31513086

CCCC(CC)CSCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
ACE P12821 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
PRMT1 Q99873 1/20 0.37
S100A4 P26447 1/20 0.37
CYP2C9 P11712 1/20 0.36
METAP2 P50579 1/20 0.36
TP53 P04637 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL15271497 0.90 ALDH1A1 (0.43) SIGMAR1ACECYP3A4
SCHEMBL12610440 0.89 CYP1A2 (0.41) ACECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20763981 0.82 HTR2A (0.40) SIGMAR1ACECYP1A2CYP3A4CYP2D6
SCHEMBL10974704 0.80 ACE (0.41) SIGMAR1ACECYP1A2CYP3A4CYP2D6
SCHEMBL16312844 0.78 HDAC3 (0.44) SIGMAR1POLB
SCHEMBL9906423 0.76 ACE (0.43) SIGMAR1ACECYP1A2CYP3A4CYP2D6
SCHEMBL15562967 0.75 SIGMAR1 (0.49) SIGMAR1TP53
SCHEMBL14525778 0.74 CYP2D6 (0.46) ACECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL31513150 0.74 MAOA (0.50) SIGMAR1
SCHEMBL9678878 0.73 PPARG (0.40) SIGMAR1ACECYP1A2CYP3A4CYP2D6

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
CN-119768191-A Disinfecting and sterilizing composition with residence time indicator and cleaning article containing same 金伯利-克拉克环球有限公司 2025-04-04 CN disclosed