SCHEMBL31285033

SCHEMBL31285033

CCCCCCC/C=C(\C#N)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CES2 O00748 2/20 0.41
▸ CES1 P23141 2/20 0.41
▸ TBXAS1 P24557 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NAAA Q02083 1/20 0.41
▸ EP300 Q09472 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ SOAT2 O75908 1/20 0.38
▸ SOAT1 P35610 1/20 0.38
▸ PTGS2 P35354 1/20 0.38

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
SCHEMBL31284893 1.00 SMN1; SMN2 (0.45) SMN1; SMN2CES2CES1TBXAS1ALDH1A1
SCHEMBL31285494 1.00 SMN1; SMN2 (0.45) SMN1; SMN2CES2CES1TBXAS1ALDH1A1
SCHEMBL31284710 1.00 SMN1; SMN2 (0.45) SMN1; SMN2CES2CES1TBXAS1ALDH1A1
SCHEMBL31285016 1.00 SMN1; SMN2 (0.45) SMN1; SMN2CES2CES1TBXAS1ALDH1A1
SCHEMBL13990397 0.98 SMN1; SMN2 (0.46) SMN1; SMN2CES2CES1TBXAS1ALDH1A1
SCHEMBL2767621 0.98 SMN1; SMN2 (0.46) SMN1; SMN2CES2CES1TBXAS1ALDH1A1
SCHEMBL2768791 0.98 SMN1; SMN2 (0.46) SMN1; SMN2CES2CES1TBXAS1ALDH1A1
SCHEMBL31310782 0.93 SMN1; SMN2 (0.43) SMN1; SMN2CES2CES1ALDH1A1MAPT
SCHEMBL3174321 0.86 SMN1; SMN2 (0.46) SMN1; SMN2CES2CES1ALDH1A1MAPT
SCHEMBL3174317 0.86 SMN1; SMN2 (0.46) SMN1; SMN2CES2CES1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731734-A1 FRAGRANCE INGREDIENTS Givaudan SA (CH) 2026-04-29 — — EP disclosed
WO-2024261137-A1 FRAGRANCE INGREDIENTS GIVAUDAN SA (CH) 2024-12-26 — — WO disclosed
EP-4481022-A1 FRAGRANCE INGREDIENTS Givaudan SA (CH) 2024-12-25 — — EP disclosed
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