SCHEMBL9972167

SCHEMBL9972167

CC1=CCC(c2ccc(O)cc2)(C(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.37
ESR2 Q92731 4/20 0.37
NR1I2 O75469 1/20 0.34
STAT3 P40763 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 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
SCHEMBL9972164 0.75 ESR2 (0.38) ESR1ESR2PDCD1CD274
SCHEMBL3682201 0.69 ESR2 (0.39) ESR1ESR2PDCD1CD274
Terpineol SCHEMBL22344 0.66 STAT3 (0.36) STAT3
Terpineol SCHEMBL17748829 0.66 STAT3 (0.36) STAT3
Terpineol SCHEMBL5718779 0.66 STAT3 (0.36) STAT3
(-)-Terpinen-4-Ol SCHEMBL13180470 0.66 STAT3 (0.36) STAT3
SCHEMBL1408477 0.65 ESR1 (0.39) ESR1ESR2
SCHEMBL12981749 0.63 LMNA (0.40)
SCHEMBL25468361 0.62 STAT3 (0.33) STAT3
SCHEMBL2976519 0.62 STAT3 (0.33) STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8574745-B2 Resin composition and organic-electrolyte battery NISSAN MOTOR CO., LTD. (JP) 2013-11-05 US disclosed
US-8574745-B2 Resin composition and organic-electrolyte battery NISSAN MOTOR CO., LTD. (JP) 2013-11-05 US disclosed
US-20120156546-A1 RESIN COMPOSITION AND ORGANIC-ELECTROLYTE BATTERY NISSAN MOTOR CO., LTD. 2012-06-21 US disclosed
US-20120156546-A1 RESIN COMPOSITION AND ORGANIC-ELECTROLYTE BATTERY NISSAN MOTOR CO., LTD. 2012-06-21 US disclosed