SCHEMBL23177612

SCHEMBL23177612

CCCCCOC(=O)/C(C#N)=C/C=C/N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.42
▸ MAPT P10636 7/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ GAA P10253 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 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
SCHEMBL12292355 0.99 MAPT (0.42) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL9889261 0.99 MAPT (0.42) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL12260843 0.99 MAPT (0.42) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL12758234 0.88 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL12294365 0.87 MAPT (0.39) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL14654938 0.85 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL19240089 0.83 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1L3MBTL1GAA
SCHEMBL12526176 0.82 DNM1 (0.39) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL15761683 0.81 APP (0.54) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL14456204 0.81 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1L3MBTL1GAA

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-2734180-B1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION CONTAINING A MEROCYANINE DERIVATIVE COMPRISING SPECIFIC POLAR GROUPS CONSISTING OF HYDROXYL- AND ETHER-FUNCTIONALITIES OREAL (FR) 2021-03-31 — — EP disclosed
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