SCHEMBL8557742

SCHEMBL8557742

CC1(C)CCCc2cc(OBOc3ccc4c(c3)CCCC4(C)C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.44
RXRA P19793 3/20 0.36
RXRB P28702 3/20 0.36
RXRG P48443 3/20 0.36
CYP2C19 P33261 1/20 0.34
GRM2 Q14416 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
LMNA P02545 1/20 0.33
STS P08842 2/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL4640481 0.83 KDM1A (0.61) KDM1ACYP2C19LMNASLC6A2SLC6A4
SCHEMBL5846936 0.79 RXRA (0.50) RXRARXRBRXRG
SCHEMBL11906444 0.75 STS (0.53) RXRARXRBRXRGSTS
SCHEMBL213183 0.74 SIGMAR1 (0.47) KDM1ARXRARXRBRXRGCES2
SCHEMBL4640520 0.74 HSD17B10 (0.65) RXRARXRBRXRG
SCHEMBL1495907 0.73 GRM2 (0.50) KDM1ACYP2C19GRM2CES2CES1
SCHEMBL1495909 0.73 GRM2 (0.50) KDM1ACYP2C19GRM2CES2CES1
SCHEMBL1495858 0.73 KDM1A (0.53) KDM1ASLC6A2SLC6A4SLC6A3
Phosphine SCHEMBL5925750 0.73 SIGMAR1 (0.46) KDM1ARXRARXRBRXRGCES2
Bromide SCHEMBL4618934 0.73 SIGMAR1 (0.46) KDM1ARXRARXRBRXRGCES2

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-5808124-A BINDING TO RETINOID RECEPTORS ALLERGAN (US) 1998-09-15 US disclosed