SCHEMBL10054759

SCHEMBL10054759

CC(C)=CCCC(C)C1CCC2C3CCC4C(C)(C)C(C(OO)c5cc(N)cc(N)c5)CCC4(C)C3CCC12C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.47
GPBAR1 Q8TDU6 4/20 0.38
HSD17B10 Q99714 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
AKR1B10 O60218 2/20 0.38
AKR1B1 P15121 2/20 0.38
EPHA2 P29317 2/20 0.38
LMNA P02545 2/20 0.38
EFNA1 P20827 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN1 P18031 3/20 0.38
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 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
SCHEMBL17430693 0.95 RORC (0.42) RORCLMNAPTPN1GRIN1GRIN2A
SCHEMBL10017548 0.89 CYP2D6 (0.41) RORCGPBAR1HSD17B10TDP1AKR1B10
SCHEMBL10054753 0.87 CYP2D6 (0.48) RORCLMNAMEN1KMT2AOSBP
SCHEMBL12577480 0.85 RORC (0.51) RORCGPBAR1HSD17B10TDP1AKR1B10
SCHEMBL11994878 0.84 HMGCR (0.35) RORCLMNAPTPN1CYP3A4MAPT
SCHEMBL105231 0.83 RORC (0.49) RORCGPBAR1HSD17B10TDP1AKR1B10
SCHEMBL10054758 0.83 RORC (0.57) RORCEPHA2LMNAPTPN1GRIN1
SCHEMBL14902980 0.83 RORC (0.41) RORCLMNAMEN1KMT2APTPN1
SCHEMBL105225 0.81 RORC (0.47) RORCGPBAR1HSD17B10TDP1AKR1B10
SCHEMBL10015978 0.81 RORC (0.46) RORCGPBAR1HSD17B10TDP1AKR1B10

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-20120013837-A1 COMPOSITION FOR FORMING LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE SHARP KABUSHIKI KAISHA (JP) 2012-01-19 US disclosed