SCHEMBL11345871

SCHEMBL11345871

CCc1cc(O)cc(CC)c1C(CI)c1c(CC)cc(O)cc1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.38
PTPN11 Q06124 3/20 0.38
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.32
PTGS1 P23219 1/20 0.32
DRD3 P35462 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CA5A P35218 1/20 0.32
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
PTPN2 P17706 2/20 0.32
DAO P14920 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL11353969 0.79 PTPN1 (0.42) PTPN1PTPN11ALOX15ALOX12MEN1
SCHEMBL11350786 0.79 PTPN1 (0.38) PTPN1PTPN11ALOX15ALOX12MEN1
SCHEMBL11408208 0.76 ALDH1A1 (0.37) KMT2APOLB
SCHEMBL11352012 0.75 NQO1 (0.37) MEN1KMT2ACYP3A4ESR2
SCHEMBL11347995 0.74 CYP3A4 (0.41) ALOX15MEN1KMT2ACYP3A4CA5A
SCHEMBL11345628 0.71 GABRA1 (0.41) ALOX15ALOX12CYP3A4GABRA1GABRB2
SCHEMBL204196 0.70 GABRA1 (0.50) PTPN1PTPN11ALOX15ALOX12MEN1
SCHEMBL10477405 0.70 PTPN1 (0.39) PTPN1PTPN11ALOX15ALOX12MEN1
SCHEMBL27060230 0.69 CYP3A4 (0.39) PTPN1PTPN11ALOX15ALOX12CYP3A4
SCHEMBL69820 0.69 GABRA1 (0.55) PTPN1PTPN11ALOX15ALOX12MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001910-B1 PREPARATION OF 4,4'-DIHYDROXY STILBENES OR DERIVATIVES THEREOF MONSANTO COMPANY (US) 1981-09-02 EP disclosed
EP-0001909-B1 PREPARATION OF 1,2-BIS(4-HYDROXYARYL)ETHANES BY ONE-STEP DEHYDROHALOGENATION-REARRANGEMENT-HYDROGENATION OF 1,1-BIS(4-HYDROXYARYL)-2-HALOETHANES, WHICH MAY BE FOLLOWED BY ACYLATION MONSANTO COMPANY (US) 1981-08-12 EP disclosed
US-4189610-A Preparation of 4,4-dioxy-substituted stilbenes MONSANTO COMPANY (US) 1980-02-19 US disclosed
US-4156787-A HYDROGENATION CATALYST MONSANTO COMPANY (US) 1979-05-29 US disclosed
EP-0001910-A1 Preparation of 4,4'-dihydroxy stilbenes or derivatives thereof MONSANTO COMPANY (US) 1979-05-16 EP disclosed
EP-0001909-A1 Preparation of 1,2-bis(4-hydroxyaryl)ethanes by one-step dehydrohalogenation-rearrangement-hydrogenation of 1,1-bis(4-hydroxyaryl)-2-haloethanes, which may be followed by acylation MONSANTO COMPANY (US) 1979-05-16 EP disclosed