SCHEMBL3342778

SCHEMBL3342778

CCCCc1ccccc1NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.46
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYSLTR2 Q9NS75 3/20 0.43
CYSLTR1 Q9Y271 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
PLK1 P53350 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 1/20 0.41

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
SCHEMBL7365033 0.95 CYSLTR2 (0.48) SCDCYSLTR2CYSLTR1PLK1BID
SCHEMBL3982109 0.94 CYSLTR2 (0.50) SCDCYSLTR2CYSLTR1PLK1BID
SCHEMBL26927426 0.90 ALDH1A1 (0.44) SCDPOLBALDH1A1HTT
SCHEMBL667734 0.84 ALDH1A1 (0.55) POLBALDH1A1HTT
SCHEMBL10951528 0.80 PLK1 (0.42) CYP2C9PLK1
SCHEMBL2019462 0.80 POLB (0.58) POLBALDH1A1HTT
SCHEMBL3815439 0.80 TAAR1 (0.44) ALDH1A1HTT
SCHEMBL2698254 0.79 ADRA2B (0.45) SCDPOLBCYP3A4CYP2D6CYP2C9
SCHEMBL11879454 0.79 NAAA (0.49) ALDH1A1HTTHPGD
SCHEMBL15094123 0.78 POLB (0.64) POLBALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100159691-A1 PHOTOSENSITIVE RESIN COMPOSITION AND LAMINATE ASAHI KASEI EMD CORPORATION (JP) 2010-06-24 US disclosed
EP-0458485-B1 Image forming layer FUJI PHOTO FILM CO LTD (JP) 1998-07-29 EP disclosed
US-5395733-A Unsaturated polymer layer that can be decarboxylated on exposure to light and sensitizers FUJI PHOTO FILM CO., LTD. (JP) 1995-03-07 US disclosed
EP-0458485-A2 Image forming layer Fuji Photo Film Co., Ltd. (JP) 1991-11-27 EP disclosed
US-4069385-A FROM AN OLEFIN AND AN ORGANIC PEROXIDE WITH COPPER-SCHIFF BASE COMPEX AS CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-01-17 US disclosed