SCHEMBL3865877

SCHEMBL3865877

[CH2]C(=COCC)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AKR1B1 P15121 1/20 0.38
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CNR2 P34972 1/20 0.35
TRPA1 O75762 1/20 0.34
PAM P19021 1/20 0.34
ALOX5 P09917 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4631626 0.76 BTN3A1 (0.42) CES2CES1AKR1B1TSHRTP53
Methoxymethane SCHEMBL28215004 0.76 CES2 (0.43) CES2CES1AKR1B1TSHRSMN1; SMN2
SCHEMBL11267412 0.74 RPS27 (0.35) CES2CES1AKR1B1TSHRTP53
SCHEMBL11267417 0.74 RPS27 (0.35) CES2CES1AKR1B1TSHRTP53
SCHEMBL11103937 0.73 CYP3A4 (0.44) CES2CES1AKR1B1TSHRSMN1; SMN2
SCHEMBL15307430 0.71 CYP3A4 (0.42) CES2CES1AKR1B1TSHRSMN1; SMN2
SCHEMBL11878448 0.71 CES1 (0.46) CES2CES1AKR1B1TSHRALDH1A1
SCHEMBL29279463 0.70 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1ALOX5
SCHEMBL24931120 0.69 MEN1 (0.54) CES2CES1TSHRSMN1; SMN2HPGD
SCHEMBL31750612 0.69 MEN1 (0.54) CES2CES1TSHRSMN1; SMN2HPGD

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
EP-2116527-A1 OXIME COMPOUND, PHOTOSENSITIVE COMPOSITION, COLOR FILTER, METHOD FOR PRODUCTION OF THE COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT FUJIFILM Corporation (JP) 2009-11-11 EP disclosed
US-20030129504-A1 Photosensitive resin compositon, transfer material, image forming method, color filter and producing method thereof and photomask and producing method thereof FUJI PHOTO FILM CO., LTD. 2003-07-10 US disclosed