SCHEMBL11643265

SCHEMBL11643265

O=C(c1ccccc1F)c1cc(C(F)(F)F)ccc1OCCCl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
SLC6A9 P48067 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
MRGPRX4 Q96LA9 6/20 0.43
HTT P42858 1/20 0.41
LRRK2 Q5S007 4/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.41
RXFP1 Q9HBX9 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
YAP1 P46937 1/20 0.39
TEAD4 Q15561 1/20 0.39
TEAD2 Q15562 1/20 0.39

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
SCHEMBL11641797 0.85 HTT (0.51) KDM4EHPGDSLC6A9MRGPRX4HTT
SCHEMBL11639769 0.84 L3MBTL1 (0.44) HPGDMRGPRX4PTGDR2
SCHEMBL11641654 0.83 NPC1 (0.47) KDM4EHPGDHTT
SCHEMBL11639693 0.81 HPGD (0.48) KDM4EHPGDSLC6A9PTGDR2
SCHEMBL11638450 0.79 PTGDR2 (0.47) KDM4EHPGDSLC6A9MRGPRX4HTT
SCHEMBL11642634 0.79 MAPT (0.45) KDM4EHPGDHTTPTGDR2RXFP1
SCHEMBL11644181 0.74 TRPV1 (0.50) KDM4EHPGDTRPV1
SCHEMBL11507744 0.74 ALDH1A1 (0.51) KDM4EHPGDTRPV1HTT
SCHEMBL6269230 0.72 HTT (0.51) KDM4EHPGDSLC6A9MRGPRX4HTT
SCHEMBL8175439 0.71 RORB (0.46) KDM4EHPGDMRGPRX4RXFP1SCN8A

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
US-4125538-A ANALGESIC, ANTITUSSIVE BRISTOL-MYERS COMPANY (US) 1978-11-14 US disclosed