SCHEMBL11309367

SCHEMBL11309367

CCCCCCCCCCCCCCCCOc1ccc(CCCC(=O)O)cc1OCCCCCCCCCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.53
PPARG P37231 2/20 0.52
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52
PTPN11 Q06124 1/20 0.52
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
LTB4R Q15722 1/20 0.51
CYSLTR2 Q9NS75 2/20 0.49
CYSLTR1 Q9Y271 2/20 0.49
CNR2 P34972 1/20 0.49
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49
S1PR1 P21453 3/20 0.49
S1PR3 Q99500 3/20 0.49
S1PR2 O95136 1/20 0.49
BIRC5 O15392 1/20 0.49
RXRA P19793 1/20 0.48
S1PR4 O95977 1/20 0.48

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
SCHEMBL11315400 1.00 PPARA (0.53) PPARAPPARGPTPN1PTPN6PTPN11
SCHEMBL8984893 0.89 RXRA (0.56) PPARAPPARGPTPN1PTPN6PTPN11
SCHEMBL3667760 0.87 LMNA (0.59) PPARAPPARGTHRATHRBLTB4R
SCHEMBL5138907 0.84 PTPN11 (0.66) PTPN1PTPN6PTPN11THRATHRB
SCHEMBL5093658 0.84 PTPN11 (0.66) PTPN1PTPN6PTPN11THRATHRB
SCHEMBL28381703 0.84 HTT (0.59) PPARAPPARGPTPN1PTPN6PTPN11
SCHEMBL7733989 0.83 THRA (0.56) PPARAPPARGPTPN1PTPN6PTPN11
SCHEMBL20631419 0.83 TRPV1 (0.67) CNR2
SCHEMBL8163368 0.83 PPARA (0.59) PPARAPPARGPTPN1PTPN6PTPN11
SCHEMBL3667217 0.82 LMNA (0.65) PPARAPPARGLTB4RPTGESALOX5

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-4307229-A CORD FACTOR, ANTITUMOR AGENTS LIAV AVRAHAM 1981-12-22 US claimed
US-4307229-A CORD FACTOR, ANTITUMOR AGENTS LIAV AVRAHAM 1981-12-22 US disclosed