SCHEMBL19423232

SCHEMBL19423232

CCCCCCCCOc1c(-c2ccc(C)cc2)cc(-c2ccc(C)cc2)cc1-c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.41
CNR2 P34972 1/20 0.41
SOAT1 P35610 1/20 0.40
PTPN11 Q06124 5/20 0.40
NR5A1 Q13285 1/20 0.38
TSHR P16473 1/20 0.37
LTB4R Q15722 1/20 0.37
THRB P10828 3/20 0.37
THRA P10827 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36

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
SCHEMBL19423207 1.00 RARB (0.41) RARBCNR2SOAT1PTPN11NR5A1
SCHEMBL19423231 0.93 CYP2D6 (0.42) RARBCNR2GAACYP3A4CYP2D6
SCHEMBL23353481 0.93 DRD2 (0.38) RARBCNR2SOAT1PTPN11LTB4R
SCHEMBL16769667 0.86 TDP1 (0.48) RARBPTPN11ALDH1A1MAPT
SCHEMBL19423234 0.86 RARB (0.40) RARBSOAT1PTPN11NR5A1TSHR
SCHEMBL19423201 0.86 RARB (0.40) RARBSOAT1PTPN11NR5A1TSHR
SCHEMBL18314263 0.83 RARB (0.40) RARBCNR2PTPN11NR5A1TSHR
SCHEMBL16749640 0.81 RARB (0.68) RARBPTPN11TSHRALDH1A1MAPT
SCHEMBL13114651 0.80 PTPN11 (0.45) RARBCNR2SOAT1PTPN11THRB
SCHEMBL19423208 0.79 PTGS1 (0.42) RARBTSHRGAACYP3A4CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436552-B1 USE OF TRIARYLBENZENE DERIVATIVES AS TRACERS FOR MARKING LIQUID FUELS AND MOTOR FUELS, LIQUID FUELS AND MOTOR FUELS CONTAINING SUCH DERIVATIVES AND CORRESPONDING PROCESSES ETABLISSEMENTS STEINER (FR) 2021-05-12 EP disclosed
EP-3436552-B1 USE OF TRIARYLBENZENE DERIVATIVES AS TRACERS FOR MARKING LIQUID FUELS AND MOTOR FUELS, LIQUID FUELS AND MOTOR FUELS CONTAINING SUCH DERIVATIVES AND CORRESPONDING PROCESSES ETABLISSEMENTS STEINER (FR) 2021-05-12 EP disclosed
WO-2017168066-A1 USE OF TRIARYLBENZENE DERIVATIVES AS TRACERS FOR MARKING LIQUID FUELS AND MOTOR FUELS, LIQUID FUELS AND MOTOR FUELS CONTAINING SUCH DERIVATIVES AND CORRESPONDING PROCESSES ETABLISSEMENTS STEINER (FR) 2017-10-05 WO disclosed