SCHEMBL2625686

SCHEMBL2625686

C=C(C)C(=O)O/N=C(\c1ccccc1F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
NPC1 O15118 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 3/20 0.36
KMT2A Q03164 6/20 0.36
MAPT P10636 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL1697248 0.84 POLB (0.38) CES2CES1RAB9AKMT2ATDP1
SCHEMBL12705069 0.81 ELANE (0.44) PKMCES2CES1ALDH1A1NPC1
SCHEMBL10172183 0.81 ELANE (0.44) PKMCES2CES1ALDH1A1NPC1
SCHEMBL775651 0.81 ELANE (0.44) PKMCES2CES1ALDH1A1NPC1
SCHEMBL775927 0.75 NPC1 (0.42) PKMCES2CES1ALDH1A1ALOX15
SCHEMBL12726767 0.72 ELANE (0.41) PKMCES2CES1ALDH1A1NPC1
SCHEMBL775941 0.72 KMT2A (0.46) CES2CES1CYP2C19CYP1A2CYP2D6
SCHEMBL361195 0.69 CES2 (0.41) PKMCES2CES1GAAALDH1A1
SCHEMBL775653 0.69 ELANE (0.38) CES2CES1ALDH1A1KMT2AMAPT
SCHEMBL4074535 0.68 CES2 (0.68) PKMCES2CES1GAAALDH1A1

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
US-20120100483-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-26 US disclosed
US-20120100483-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-26 US disclosed