SCHEMBL6120889

SCHEMBL6120889

O=C(O)C(O)=C(O)C(=O)O.O=C(O)C1(O)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
AKR1C1 Q04828 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FFAR3 O14843 1/20 0.31
HDAC4 P56524 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL6120878 1.00 CYP2C19 (0.38) CYP2C19AKR1C1USP2ALDH1A1LMNA
SCHEMBL7829479 0.89 CYP2C19 (0.44) CYP2C19AKR1C1USP2ALDH1A1LMNA
SCHEMBL18682 0.89 CYP2C19 (0.44) CYP2C19AKR1C1USP2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3879325 0.87 CYP2C19 (0.42) CYP2C19AKR1C1USP2ALDH1A1LMNA
SCHEMBL756943 0.87
Acetic Acid SCHEMBL27516411 0.82 CYP2C19 (0.39) CYP2C19AKR1C1USP2ALDH1A1LMNA
SCHEMBL321733 0.81
SCHEMBL153693 0.74
SCHEMBL9632327 0.72 FFAR3 (0.32) CYP2C19FFAR3
SCHEMBL6757053 0.72

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
WO-2012065971-A9 COSMETIC COMPOSITION COMPRISING AT LEAST ONE ELASTOMERIC POLYURETHANE AND AT LEAST ONE CATIONIC POLYMER L'OREAL (FR) 2013-10-24 WO disclosed
WO-2012065971-A2 COSMETIC COMPOSITION COMPRISING AT LEAST ONE ELASTOMERIC POLYURETHANE AND AT LEAST ONE CATIONIC POLYMER L'OREAL (FR) 2012-05-24 WO disclosed