SCHEMBL9702617

SCHEMBL9702617

CCCOc1ccc(OCCC)c(C(=O)Cc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.48
KMT2A Q03164 1/20 0.47
PTGES O14684 2/20 0.46
ALOX5 P09917 2/20 0.46
PPARG P37231 2/20 0.46
ABCB1 P08183 3/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
KAT6A Q92794 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL11336367 0.82 L3MBTL1 (0.58) KMT2APTGESALOX5PPARGMAPT
SCHEMBL11322929 0.81 KMT2A (0.55) PTPN11KMT2ALMNAL3MBTL1
SCHEMBL20496450 0.79 LMNA (0.52) PTPN11KMT2APPARGMAPTSMN1; SMN2
SCHEMBL28567793 0.79 L3MBTL1 (0.62) KMT2ANPC1MAPTNFKB1RAB9A
SCHEMBL11555374 0.78 MAOB (0.57) PTPN11KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23504466 0.78 ABCB1 (0.50) ABCB1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2648115 0.77 SMN1; SMN2 (0.46) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL17637149 0.77 HSD11B1 (0.63) KMT2ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL7303774 0.77 KMT2A (0.46) PTPN11KMT2AMAPTLMNAL3MBTL1
SCHEMBL11330584 0.76 L3MBTL1 (0.65) PTPN11KMT2APTGESALOX5PPARG

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-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed