SCHEMBL18924486

SCHEMBL18924486

CC(C)(C)Cc1ccc(OCc2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.50
RXRB P28702 5/20 0.50
RXRG P48443 5/20 0.50
S1PR1 P21453 4/20 0.47
MRGPRX4 Q96LA9 5/20 0.47
S1PR4 O95977 1/20 0.45
S1PR3 Q99500 1/20 0.45
S1PR5 Q9H228 1/20 0.45
CTSS P25774 1/20 0.43
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
FFAR4 Q5NUL3 2/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL18898464 0.83 KMT2A (0.49) MAPTMAPK1TDP1L3MBTL1FFAR4
SCHEMBL79415 0.82 RXRA (0.52) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL79041 0.82 RXRA (0.56) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL14453588 0.81 MRGPRX4 (0.50) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL656838 0.81 MRGPRX4 (0.50) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL24037766 0.81 S1PR1 (0.50) RXRARXRBRXRGS1PR1CTSS
SCHEMBL6812974 0.80 CYP4F2 (0.54) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL20756090 0.80 RXRA (0.54) RXRARXRBRXRGMRGPRX4CTSS
SCHEMBL86405 0.79 RXRA (0.49) RXRARXRBRXRGS1PR1MRGPRX4
SCHEMBL24037767 0.79 IDO1 (0.39) RXRARXRBRXRGS1PR1MRGPRX4

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-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 US disclosed