SCHEMBL14095054

SCHEMBL14095054

CCCCC(CC)COC(=O)/C(C#N)=C/C=C/N1CCN(/C=C/C=C(\C#N)C(=O)OCC(CC)CCCC)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.48
▸ LMNA P02545 5/20 0.48
▸ MAPK1 P28482 4/20 0.48
▸ TSHR P16473 3/20 0.43
▸ CYP3A4 P08684 5/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CA2 P00918 1/20 0.41
▸ RECQL P46063 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ MAPT P10636 5/20 0.35
▸ GAA P10253 4/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL14768457 1.00 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL12101256 1.00 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL23583784 0.90 LMNA (0.41) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL12292855 0.81 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL5272544 0.81 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL19240032 0.81 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL15761692 0.81 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1CYP3A4TDP1
SCHEMBL21470237 0.81 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1CYP3A4TDP1
SCHEMBL2398261 0.81 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL12101253 0.81 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4

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
US-7407648-B2 Merocyanine derivatives for cosmetic use CIBA SPECIALTY CHEMICALS CORP. (US) 2008-08-05 — — US disclosed
US-7407648-B2 Merocyanine derivatives for cosmetic use CIBA SPECIALTY CHEMICALS CORP. (US) 2008-08-05 — — US disclosed
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