SCHEMBL9624029

SCHEMBL9624029

C=CCc1cc(C=C(C(=O)O)C(=O)O)cc(OC)c1OCCCC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 5/20 0.49
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
PPARA Q07869 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL9166233 0.88 MAPT (0.45) ALDH1A1KDM4EMAPTL3MBTL1CYP1A2
SCHEMBL9534454 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTL3MBTL1CYP1A2
SCHEMBL9165998 0.83 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTL3MBTL1CYP1A2
SCHEMBL9623861 0.76 TDP1 (0.49) ALDH1A1KDM4EMAPTL3MBTL1CYP3A4
SCHEMBL8411878 0.75 KDM4E (0.59) ALDH1A1KDM4EMAPTCYP2C9TDP1
SCHEMBL9168342 0.75 MAPT (0.50) ALDH1A1KDM4EMAPTL3MBTL1CYP1A2
SCHEMBL8630136 0.73 HTR1A (0.59) ALDH1A1KDM4EMAPTTDP1POLB
SCHEMBL9161015 0.73 TSHR (0.43) ALDH1A1KDM4EMAPTL3MBTL1CYP1A2
SCHEMBL17831977 0.71 ALDH1A1 (0.51) ALDH1A1MAPTCYP3A4TDP1SMN1; SMN2
SCHEMBL9624035 0.71 KDM4E (0.48) ALDH1A1KDM4EMAPTL3MBTL1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0350386-B1 UNSATURATED DERIVATIVES OF LIPID SOLUBLE BENZAL MALONATES, AND THEIR USE AS UV ABSORBERS IN THE COSMETIC FIELD L'OREAL (FR) 1992-04-08 EP claimed
EP-0350386-A1 Unsaturated derivatives of lipid soluble benzal malonates, and their use as UV absorbers in the cosmetic field L'OREAL (FR) 1990-01-10 EP claimed
EP-0392882-B1 COSMETIC COMPOSITIONS CONTAINING DIORGANOPOLYSILOXANES WITH A BENZALMALONATE FUNCTION FOR SKIN AND HAIR PROTECTION, AND THEIR USE L'OREAL (FR) 1992-10-28 EP disclosed
EP-0358584-B1 DIORGANOPOLYSILOXANES CONTAINING FUNCTIONAL BENZAL MALONATE GROUPS RHONE-POULENC CHIMIE (FR) 1992-09-16 EP disclosed
EP-0350386-B1 UNSATURATED DERIVATIVES OF LIPID SOLUBLE BENZAL MALONATES, AND THEIR USE AS UV ABSORBERS IN THE COSMETIC FIELD L'OREAL (FR) 1992-04-08 EP disclosed
EP-0392882-A1 Cosmetic compositions containing diorganopolysiloxanes with a benzalmalonate function for skin and hair protection, and their use L'OREAL (FR) 1990-10-17 EP disclosed
EP-0358584-A1 Diorganopolysiloxanes containing functional benzal malonate groups RHONE-POULENC CHIMIE (FR) 1990-03-14 EP disclosed
EP-0350386-A1 Unsaturated derivatives of lipid soluble benzal malonates, and their use as UV absorbers in the cosmetic field L'OREAL (FR) 1990-01-10 EP disclosed