SCHEMBL11265852

SCHEMBL11265852

CCCCCCCCCCCCC[PH](O)(Oc1ccccc1)Oc1ccc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
APEX1 P27695 1/20 0.33
CYP2C19 P33261 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
NR1I2 O75469 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
PGR P06401 1/20 0.31
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31

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
SCHEMBL466236 0.92 THRA (0.38) THRATHRBCNR1CNR2APEX1
SCHEMBL9494786 0.85 CNR1 (0.33) THRATHRBCNR1CNR2APEX1
SCHEMBL7951310 0.82 THRA (0.38) THRATHRBCNR1CNR2APEX1
SCHEMBL7950291 0.82 THRA (0.38) THRATHRBCNR1CNR2APEX1
SCHEMBL7948651 0.82 THRA (0.38) THRATHRBCNR1CNR2APEX1
SCHEMBL7942239 0.82 THRA (0.38) THRATHRBCNR1CNR2APEX1
SCHEMBL2710799 0.82 THRA (0.38) THRATHRBCNR1CNR2APEX1
SCHEMBL7954051 0.82 THRA (0.38) THRATHRBCNR1CNR2APEX1
SCHEMBL11428141 0.80 ALDH1A1 (0.41) CNR1CNR2CYP2C19CYP1A2CYP3A4
SCHEMBL11428135 0.80 HDAC3 (0.41) APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4348308-A IMPROVING COLOR STABILITY OF VINYL CHLORIDE POLYMERS ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1982-09-07 US disclosed
US-4282141-A DISCOLORATION INHIBITION FOR VINYL CHLORIDE POLYMERS ARGUS CHEMICAL CORPORATION (US) 1981-08-04 US disclosed