SCHEMBL29295181

SCHEMBL29295181

CCCc1cc(C)c(C)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SKP2 Q13309 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PKM P14618 2/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAPGEF4 Q8WZA2 2/20 0.31

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
SCHEMBL13342413 1.00 FFAR4 (0.38) FFAR4PTGS1PTGS2HTTALDH1A1
SCHEMBL28131083 0.84 FFAR4 (0.47) FFAR4PTGS1PTGS2HTTALDH1A1
SCHEMBL26676087 0.82 PTGS2 (0.32) PTGS1PTGS2RAPGEF4
SCHEMBL26432134 0.79 FFAR4 (0.36) FFAR4PTGS1PTGS2HTTALDH1A1
SCHEMBL15787572 0.78 MAOA (0.41) PTGS1PTGS2SKP2
SCHEMBL20708489 0.77 SIGMAR1 (0.44) HTTSKP2NPC1RAB9AHPGD
SCHEMBL6793126 0.77 RIPK1 (0.38) PTGS2HTTNPC1RAB9AHPGD
SCHEMBL23655537 0.76 FFAR4 (0.37) FFAR4PTGS1PTGS2HTTALDH1A1
SCHEMBL24595109 0.76 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL18553018 0.76 PTGS1 (0.40) PTGS1PTGS2HTTNPC1RAB9A

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
EP-4397663-A1 6-AMINOPYRAZOLOPYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2024-07-10 EP disclosed