SCHEMBL20059953

SCHEMBL20059953

CCC(O)(CC)c1ccc(OCc2ccccc2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.53
MRGPRX4 Q96LA9 6/20 0.52
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
VDR P11473 5/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LIPE Q05469 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
FFAR1 O14842 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL16178212 0.86 RAB9A (0.51) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL3242065 0.86 NPC1 (0.56) SMN1; SMN2NPC1HPGDRAB9ACYP2C9
SCHEMBL27910124 0.83 CCR5 (0.42) MAPTTDP1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL4507542 0.82 VDR (0.62) FFAR4MRGPRX4VDR
SCHEMBL17024331 0.82 MRGPRX4 (0.55) FFAR4MRGPRX4MAPTTDP1L3MBTL1
SCHEMBL2972327 0.82 ESR1 (0.59) FFAR4MRGPRX4VDR
SCHEMBL2320679 0.82 FFAR4 (0.56) FFAR4MRGPRX4MAPTTDP1L3MBTL1
SCHEMBL12295554 0.81 MRGPRX4 (0.68) FFAR4MRGPRX4MAPTTDP1L3MBTL1
SCHEMBL2318476 0.81 FFAR4 (0.53) FFAR4MRGPRX4MAPTTDP1L3MBTL1
SCHEMBL3980539 0.81 FFAR4 (0.52) FFAR4MRGPRX4MAPTTDP1L3MBTL1

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-2794556-B1 BIS-(ARYL/HETEROARYL)-METHYLENE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND THEIR USE FOR TREATING CANCER GLEASON JAMES L (CA) 2018-04-18 EP disclosed