SCHEMBL18924505

SCHEMBL18924505

CC1(C)Cc2cc(OCc3ccccc3)c(C(F)(F)F)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
MRGPRX4 Q96LA9 5/20 0.43
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
HTR2C P28335 2/20 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
CTSS P25774 1/20 0.40
CHRNA7 P36544 2/20 0.40
HTR2A P28223 1/20 0.39
BRD4 O60885 1/20 0.39
AR P10275 1/20 0.38

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
SCHEMBL20756090 0.82 RXRA (0.54) L3MBTL1MRGPRX4RXRARXRBRXRG
SCHEMBL629336 0.80 HTR2A (0.55) L3MBTL1HTR2CSLC6A4MAPTMAPK1
SCHEMBL18893896 0.76 MRGPRX4 (0.49) L3MBTL1MRGPRX4RXRARXRBRXRG
SCHEMBL29937257 0.76 MRGPRX4 (0.49) L3MBTL1MRGPRX4RXRARXRBRXRG
SCHEMBL16097308 0.75 PDE4B (0.42) MRGPRX4RXRARXRBRXRG
SCHEMBL20482557 0.74 MRGPRX4 (0.38) L3MBTL1MRGPRX4RXRARXRBRXRG
SCHEMBL16548414 0.74 MRGPRX4 (0.53) L3MBTL1MRGPRX4RXRARXRBRXRG
SCHEMBL14453588 0.74 MRGPRX4 (0.50) L3MBTL1MRGPRX4RXRARXRBRXRG
SCHEMBL16455676 0.72 MAPT (0.47) L3MBTL1MRGPRX4RXRARXRBRXRG
SCHEMBL6628330 0.72 RXRA (0.71) L3MBTL1MRGPRX4RXRARXRBRXRG

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