SCHEMBL26042290

SCHEMBL26042290

O=Nc1cc(O)cc2c1CCCO2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CTNNB1 P35222 1/20 0.30
▸ WNT3A P56704 1/20 0.30
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL3190996 0.78 MAOA (0.37) MAOAMAOBMTNR1AMTNR1BSMN1; SMN2
SCHEMBL30392289 0.78 MAOA (0.37) MAOAMAOBMTNR1AMTNR1BSMN1; SMN2
SCHEMBL18809447 0.75 HSP90AA1 (0.32) SMN1; SMN2
SCHEMBL26159938 0.72 TDP1 (0.34) MAOAMAOBSMN1; SMN2
SCHEMBL21500751 0.71 SMN1; SMN2 (0.32) MAOAMAOBSMN1; SMN2CTNNB1WNT3A
SCHEMBL21495180 0.67 MTNR1A (0.32) MTNR1AMTNR1B
SCHEMBL5547659 0.67 MAOA (0.41) MAOAMAOBPTGS2
SCHEMBL21500707 0.66 DRD2 (0.41) MAOBSMN1; SMN2
SCHEMBL14541022 0.66 PGR (0.46) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL21500712 0.66 ALOX5 (0.31) —

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
EP-3393444-B1 PASSIFLORE SEED EXTRACTS AND COSMETIC, PHARMACEUTICAL OR DERMATOLOGICAL COMPOSITIONS THEREOF. EXPANSCIENCE LAB (FR) 2023-08-30 — — EP disclosed
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