SCHEMBL25633237

SCHEMBL25633237

C=C(C#N)/C=C/c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ FOS P01100 1/20 0.44
▸ JUN P05412 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ MAOA P21397 3/20 0.42
▸ MAOB P27338 3/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.41
▸ SLC5A1 P13866 1/20 0.40
▸ SLC5A2 P31639 1/20 0.40
▸ ALOX5 P09917 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
SCHEMBL3951014 0.80 MAPT (0.48) MAPTCYP3A4CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL3437188 0.80 MAPT (0.48) MAPTCYP3A4CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL10925881 0.77 MAPT (0.56) MAPTCYP3A4FOSJUNALDH1A1
SCHEMBL10925886 0.77 MAPT (0.56) MAPTCYP3A4FOSJUNALDH1A1
SCHEMBL19789603 0.76 ALDH1A1 (0.39) MAPTCYP3A4ALDH1A1HPGDRAB9A
SCHEMBL29242178 0.75 CYP3A4 (0.55) MAPTCYP3A4CYP2C9CYP2C19FOS
SCHEMBL21727657 0.75 CYP3A4 (0.55) MAPTCYP3A4CYP2C9CYP2C19FOS
SCHEMBL22114228 0.75 MAPT (0.53) MAPTCYP3A4CYP2C9CYP2C19FOS
SCHEMBL16170090 0.75 CYP1A1 (0.43) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL6881485 0.74 MAPT (0.44) MAPTCYP3A4FOSJUNALDH1A1

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
WO-2023097322-A2 SKIN CARE COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2023-06-01 — — WO disclosed
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