SCHEMBL9330133

SCHEMBL9330133

Oc1ccc(C(CCCC(c2ccc(O)cc2)c2ccc(O)c(Cl)c2)c2ccc(O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.42
ESR1 P03372 8/20 0.42
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BACE1 P56817 1/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALOX15 P16050 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL1597822 0.93 ESR2 (0.47) ESR2ESR1TSHRHSD17B10CA2
SCHEMBL3917934 0.88 ESR2 (0.41) ESR2ESR1TSHRHSD17B10BACE1
SCHEMBL30343452 0.85 ESR2 (0.50) ESR2ESR1TSHRHSD17B10CA2
SCHEMBL1595522 0.85 ESR2 (0.50) ESR2ESR1TSHRHSD17B10CA2
SCHEMBL1596654 0.81 ESR1 (0.46) ESR2ESR1TSHRHSD17B10CA2
SCHEMBL5710018 0.80 CA2 (0.40) ESR2TSHRHSD17B10CA2CA1
SCHEMBL11013342 0.79 ESR2 (0.44) ESR2ESR1TSHRHSD17B10CA2
SCHEMBL30343467 0.77 ESR2 (0.50) ESR2ESR1TSHRHSD17B10CA2
SCHEMBL1597446 0.77 ESR2 (0.50) ESR2ESR1TSHRHSD17B10CA2
SCHEMBL9838263 0.77 ESR1 (0.46) ESR2ESR1TSHRHSD17B10CA2

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
EP-0304125-B1 Heat-hardenable compositions based on polyglycidyl ethers and polyhydric phenols, halogenated tetraphenols, polyglycidyl ethers and process for preparing tetraphenols SHELL INT RESEARCH (NL) 1994-03-23 EP disclosed
EP-0304125-A2 Heat-hardenable compositions based on polyglycidyl ethers and polyhydric phenols, halogenated tetraphenols, polyglycidyl ethers and process for preparing tetraphenols SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-02-22 EP disclosed