SCHEMBL15935558

SCHEMBL15935558

CC(C)=CCCC(C)C1CCC2C3CCC4C(C)(C)C(OC(=O)c5cc(N)cc(N)c5)CC[C@@]4(C)C3CCC12C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
PTPN2 P17706 7/20 0.42
PTPN1 P18031 7/20 0.42
USP2 O75604 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
GPBAR1 Q8TDU6 3/20 0.41
HSD17B10 Q99714 2/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
EFNA1 P20827 1/20 0.41
EPHA2 P29317 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 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
SCHEMBL10015978 1.00 RORC (0.46) RORCPTPN2PTPN1USP2ALDH1A1
SCHEMBL12172527 0.95 RORC (0.41) RORCPTPN2PTPN1USP2GPBAR1
SCHEMBL16522338 0.88 USP2 (0.46) RORCPTPN2PTPN1USP2ALDH1A1
SCHEMBL9999582 0.88 FNTA (0.49) USP2LMNA
SCHEMBL105231 0.87 RORC (0.49) RORCPTPN2PTPN1USP2ALDH1A1
SCHEMBL19197390 0.86 USP2 (0.52) RORCPTPN2PTPN1USP2ALDH1A1
SCHEMBL105225 0.85 RORC (0.47) RORCPTPN2PTPN1USP2ALDH1A1
SCHEMBL16265131 0.84 VDR (0.47) RORCUSP2GPBAR1HSD17B10AKR1B10
SCHEMBL2608103 0.84 VDR (0.57) USP2VDR
SCHEMBL15501487 0.84 USP2 (0.42) PTPN2PTPN1USP2ALDH1A1CYP3A4

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
WO-2014119682-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2014-08-07 WO disclosed