SCHEMBL4837534

SCHEMBL4837534

CC(C)(C)Cc1ccc(P([N]P(c2ccc(CC(C)(C)C)cc2)c2ccc(CC(C)(C)C)cc2)c2ccc(CC(C)(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.50
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
SLC6A2 P23975 2/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ESR2 Q92731 1/20 0.32
TAAR1 Q96RJ0 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
SCHEMBL6685103 0.78 ESR1 (0.74) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL4841322 0.75 TP53 (0.42) TAAR1
SCHEMBL4837546 0.74 ESR1 (0.50) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL21100336 0.71 ESR1 (0.64) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL4830207 0.70 TSHR (0.46)
SCHEMBL16978966 0.70 ESR1 (0.56) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL26192271 0.70 ESR1 (0.56) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL394340 0.69 ESR1 (0.61) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL15706822 0.69 ESR1 (0.61) ESR1THRATHRBSLC6A2HTR2A
SCHEMBL861221 0.69 ESR1 (0.61) ESR1THRATHRBSLC6A2HTR2A

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
US-7378537-B2 Olefin oligomerization catalysts and methods of using same CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2008-05-27 US disclosed
US-20080027188-A1 OLEFIN OLIGOMERIZATION CATALYSTS AND METHODS OF USING SAME CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2008-01-31 US disclosed