SCHEMBL9875565

SCHEMBL9875565

CCCCCCCCCCCCCCCCCCOc1ccc(C(C)C)cc2ccc(CC)c1-2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.41
CASR P41180 2/20 0.40
SMPD1 P17405 3/20 0.40
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
PLA2G2D Q9UNK4 1/20 0.37
C5 P01031 1/20 0.36
S1PR3 Q99500 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
SCHEMBL9876488 0.91 CNR2 (0.39) PTPN11CASRSMPD1CNR2
SCHEMBL9875568 0.91 PTPN11 (0.38) PTPN11CASRSMPD1PTPN1PTPN6
SCHEMBL9875635 0.82 CASR (0.35) CASRCNR2ALDH1A1THRB
SCHEMBL9876459 0.79 HTR2A (0.46)
SCHEMBL9875198 0.79 HTR2A (0.46)
SCHEMBL9876658 0.79 HTR2A (0.46)
SCHEMBL9825534 0.76 CNR1 (0.46) PTPN11CNR2THRATHRBC5
SCHEMBL15000545 0.76 ESR1 (0.51) ALDH1A1THRATHRBS1PR3
SCHEMBL9876460 0.76 HTR2A (0.39) CASR
SCHEMBL20225796 0.75 THRA (0.49) ALDH1A1HPGDTHRATHRBS1PR3

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-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed