SCHEMBL38657158

SCHEMBL38657158

BrCCCCCCCC(CCSCc1ccccc1)SCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ MMP7 P09237 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALPL P05186 1/20 0.33
▸ ALPI P09923 1/20 0.33
▸ ALPG P10696 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL38655757 1.00 CYP2C19 (0.38) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL38657408 1.00 CYP2C19 (0.38) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL38656730 1.00 CYP2C19 (0.38) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL38657147 1.00 CYP2C19 (0.38) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL38655867 1.00 CYP2C19 (0.38) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL38657422 0.98 CYP2C19 (0.39) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13333135 0.85 CYP2C19 (0.38) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21246240 0.85 MAOA (0.40) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17382647 0.85 CSNK1E (0.41) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10307812 0.84 CSNK1E (0.39) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036795-A Triphenylphosphine derivative with pancreatic cancer resisting activity and synthesis method and application thereof 重庆大学 2026-05-15 — — CN claimed
CN-122036795-A Triphenylphosphine derivative with pancreatic cancer resisting activity and synthesis method and application thereof 重庆大学 2026-05-15 — — CN disclosed
Send feedback