SCHEMBL9624035

SCHEMBL9624035

C=CCOC(=O)C(=Cc1ccc(OCCCC)c(OC)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.45
CYP2C9 P11712 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
FDPS P14324 3/20 0.45
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
GAA P10253 1/20 0.44
POLB P06746 2/20 0.43
PRKCE Q02156 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCD Q05655 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPARA Q07869 1/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL9534463 0.89 GAA (0.56) KDM4EMAPTLMNAALDH1A1TDP1
SCHEMBL8411878 0.86 KDM4E (0.59) KDM4EMAPTNPC1CYP2C9RAB9A
SCHEMBL8330027 0.83 MAPT (0.62) KDM4EMAPTLMNACYP2C9NPSR1
SCHEMBL9170930 0.80 MAPT (0.61) KDM4EMAPTLMNACYP2C9NPSR1
SCHEMBL8334220 0.79 KDM4E (0.50) KDM4EMAPTLMNANPC1CYP2C9
SCHEMBL8656523 0.79 MAPT (0.52) KDM4EMAPTLMNANPC1CYP2C9
SCHEMBL6229506 0.78 MAPT (0.56) KDM4EMAPTLMNACYP2C9RAB9A
SCHEMBL9623864 0.78 FLT3 (0.46) KDM4EMAPTLMNACYP2C9RAB9A
SCHEMBL11824995 0.78 ALDH1A1 (0.64) KDM4EMAPTLMNACYP2C9NPSR1
SCHEMBL11825001 0.78 ALDH1A1 (0.64) KDM4EMAPTLMNACYP2C9NPSR1

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