SCHEMBL10279739

SCHEMBL10279739

O=C(O)C1C2CCC(C2)C1C(=O)OCC(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
PPM1B O75688 2/20 0.36
PTPN1 P18031 2/20 0.36
PPP1CC P36873 2/20 0.36
MAPT P10636 1/20 0.33

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
SCHEMBL13517785 0.83 RAB9A (0.56) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL10280255 0.77 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1CYP2C19CYP1A2
SCHEMBL19323685 0.77 PPM1B (0.59) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL19318639 0.77 PPM1B (0.59) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL11241112 0.77 PPM1B (0.59) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL13762648 0.77 PPM1B (0.44) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL12019041 0.75 HSD11B1 (0.38) ALDH1A1CYP2C19CYP1A2CYP2C9MAPT
SCHEMBL13762649 0.75 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL27567543 0.75 PPM1B (0.42) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL23176525 0.74 LMNA (0.52) ALDH1A1NPC1RAB9AKMT2AMEN1

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-2492747-A2 Chemically amplified negative resist composition and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2012-08-29 EP disclosed
EP-2105794-A1 Novel photoacid generator, resist composition, and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2009-09-30 EP disclosed