SCHEMBL20064113

SCHEMBL20064113

O=Cc1ccc(F)cc1CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
PLA2G2A P14555 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PARK7 Q99497 3/20 0.38
GPR52 Q9Y2T5 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTT P42858 1/20 0.37
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL10446579 0.86 ALDH1A1 (0.41) PLA2G2AALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL9101479 0.80 HSD17B3 (0.48) KDM4EGPR84
SCHEMBL537992 0.78 MEN1 (0.48) HTR2AALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL19584807 0.77 ALDH1A1 (0.40) ALDH1A1LMNAPOLBKDM4E
SCHEMBL16191048 0.77 HTR2A (0.51) HTR2AHTR2CALDH1A1LMNASMN1; SMN2
SCHEMBL27318275 0.75 MAPT (0.41) ALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL17006077 0.75 ALDH1A1 (0.35) HTR2AHTR2CALDH1A1LMNASMN1; SMN2
SCHEMBL4139935 0.74 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2POLBRAB9A
SCHEMBL31021773 0.74 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2POLBKDM4E
SCHEMBL8429903 0.74 ALOX15 (0.46) HTR2AHTR2CPOLBRAB9AKDM4E

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-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed