SCHEMBL28046060

SCHEMBL28046060

CCCCC([O])(CC(C)(O)c1ccc(C)cc1C)c1ccc(C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
CNR2 P34972 3/20 0.35
CNR1 P21554 2/20 0.35
CASR P41180 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TTR P02766 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C8 P10632 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
ADRA1A P35348 1/20 0.33
PPARG P37231 1/20 0.33
HTR2B P41595 1/20 0.33
PPARA Q07869 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CISD1 Q9NZ45 1/20 0.33
SLCO1B1 Q9Y6L6 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
SCHEMBL9220402 0.74 CASR (0.41) ESR1ESR2CASRSMN1; SMN2CYP2C9
SCHEMBL9284235 0.70 ESR1 (0.39) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL9233049 0.70 ESR1 (0.39) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL28196104 0.69 CASR (0.32) CNR2CNR1CASRSMN1; SMN2NPC1
SCHEMBL18546040 0.66 CASR (0.53) CASRSMN1; SMN2CYP1A2TDP1MEN1
SCHEMBL7610097 0.66 TDP1 (0.46) CASRSMN1; SMN2CYP1A2TDP1MEN1
SCHEMBL12180439 0.66 TDP1 (0.46) CASRSMN1; SMN2CYP1A2TDP1MEN1
SCHEMBL28653162 0.66 CNR2 (0.49) ESR1ESR2CNR2CNR1SMN1; SMN2
SCHEMBL18794054 0.66 CASR (0.38) CASRSMN1; SMN2TTRCYP1A2CYP2C8
SCHEMBL12525117 0.66 TP53 (0.41) ESR1ESR2CASRSMN1; SMN2TDP1

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
CN-105228923-A Shade and container FUJIMORI KOGYO CO LTD 2016-01-06 CN disclosed