SCHEMBL29328154

SCHEMBL29328154

CCC(C)(CN)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.38
KCNN4 O15554 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP17A1 P05093 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RIPK1 Q13546 2/20 0.34
SLC6A2 P23975 1/20 0.33
HTR2A P28223 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
SCHEMBL14625003 0.87 ESR1 (0.45) ESR1ESR2KCNN4KDM4ECYP17A1
SCHEMBL28622014 0.81 TSHR (0.46) ESR1ESR2TAAR1NPC1MAPT
SCHEMBL21164691 0.79 ESR1 (0.46) ESR1ESR2KCNN4KDM4ECYP17A1
SCHEMBL10835512 0.79 ESR1 (0.44) ESR1ESR2KCNN4KDM4ECYP17A1
SCHEMBL1639986 0.79 ESR1 (0.63) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL24305005 0.76 ESR1 (0.40) ESR1ESR2KDM4ECYP17A1
SCHEMBL5308364 0.76 LOXL2 (0.42) LOXL2KCNN4TAAR1MEN1NPC1
SCHEMBL1619364 0.76 TAAR1 (0.60) LOXL2KCNN4TAAR1MEN1NPC1
SCHEMBL7905302 0.74 KCNN4 (0.39) LOXL2KCNN4KDM4ECYP17A1MEN1
SCHEMBL25101398 0.74 ESR1 (0.48) ESR1ESR2KCNN4CYP17A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024150676-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION 富士フイルム株式会社 2024-07-18 WO disclosed