SCHEMBL31357396

SCHEMBL31357396

COc1ccc2c(c1O)OCC1c3ccc(O)cc3OC21

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.75
▸ MAOB P27338 2/20 0.75
▸ PTGS1 P23219 1/20 0.61
▸ PTPN1 P18031 3/20 0.55
▸ CYP3A4 P08684 2/20 0.51
▸ MAPK1 P28482 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MGAM O43451 1/20 0.43
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL20138512 1.00 MAOA (0.75) MAOAMAOBPTGS1PTPN1CYP3A4
SCHEMBL20138510 1.00 MAOA (0.75) MAOAMAOBPTGS1PTPN1CYP3A4
SCHEMBL31357397 1.00 MAOA (0.75) MAOAMAOBPTGS1PTPN1CYP3A4
SCHEMBL27836059 0.89 MAOA (0.73) MAOAMAOBPTGS1PTPN1CYP3A4
SCHEMBL31238358 0.86 MAOA (1.00) MAOAMAOBPTGS1PTPN1CYP3A4
SCHEMBL20138484 0.84 PTGS1 (0.81) MAOAMAOBPTGS1PTPN1CYP3A4
SCHEMBL20138482 0.84 PTGS1 (0.81) MAOAMAOBPTGS1PTPN1CYP3A4
SCHEMBL21168205 0.78 MAOA (0.64) MAOAMAOBPTGS1PTPN1CYP3A4
SCHEMBL31237248 0.78 MAOA (0.64) MAOAMAOBPTGS1PTPN1CYP3A4
SCHEMBL29473025 0.78 MAOA (0.64) MAOAMAOBPTGS1PTPN1CYP3A4

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-115068588-B Application of cytisine effective component in preparing HPV (human papillomavirus) resistant gel 江西康林药业有限公司 2025-03-18 — — CN claimed
CN-115068588-B Application of cytisine effective component in preparing HPV (human papillomavirus) resistant gel 江西康林药业有限公司 2025-03-18 — — CN disclosed
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