SCHEMBL11759869

SCHEMBL11759869

CC(c1ccccc1)c1cc(C(=O)O)c(O)c(C(C)c2ccccc2)c1.[AlH3]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.45
HSD17B10 Q99714 5/20 0.40
HPGD P15428 4/20 0.40
CYP2C9 P11712 3/20 0.40
TSHR P16473 2/20 0.40
THRB P10828 1/20 0.40
ALOX12 P18054 1/20 0.40
ATIC P31939 1/20 0.40
HTT P42858 2/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
MCL1 Q07820 4/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PTPN1 P18031 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL11759875 1.00 TYR (0.45) TYRHSD17B10HPGDCYP2C9TSHR
SCHEMBL312340 0.98 TYR (0.46) TYRHSD17B10HPGDCYP2C9TSHR
SCHEMBL8571097 0.97 TYR (0.45) TYRHSD17B10HPGDCYP2C9TSHR
SCHEMBL931199 0.97 TYR (0.45) TYRHSD17B10HPGDCYP2C9TSHR
SCHEMBL8425731 0.97 TYR (0.45) TYRHSD17B10HPGDCYP2C9TSHR
SCHEMBL9771279 0.97 TYR (0.45) TYRHSD17B10HPGDCYP2C9TSHR
SCHEMBL9650143 0.91 FABP3 (0.46) TYRHSD17B10HPGDCYP2C9TSHR
SCHEMBL9652065 0.91 MCL1 (0.48) TYRHSD17B10HPGDCYP2C9TSHR
(Chloromethyl)Benzene SCHEMBL3253377 0.88 PTPN1 (0.39) TYRHSD17B10HPGDTSHRHTT
SCHEMBL8373823 0.86 AKR1C2 (0.47) HSD17B10HPGDCYP2C9HTTGAA

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-4046941-A PRESSURE SENSITIVE COPYING SANKO CHEMICAL COMPANY LTD. (JA) 1977-09-06 US disclosed