SCHEMBL19901974

SCHEMBL19901974

CCc1ccc(OCCOc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.56
KCNH2 Q12809 4/20 0.56
CYP2C9 P11712 4/20 0.46
CYP3A4 P08684 3/20 0.45
PPARG P37231 2/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL14287837 0.87 HRH3 (0.45) HRH3KCNH2CYP2C9CYP3A4PPARG
SCHEMBL7723704 0.86 NOS3 (0.46) HRH3KCNH2ALDH1A1MAPTSMN1; SMN2
SCHEMBL14287606 0.86 HRH3 (0.44) HRH3KCNH2CYP2C9CYP3A4PPARG
SCHEMBL28826979 0.85 HRH3 (0.65) HRH3KCNH2CYP2C9CYP3A4
SCHEMBL14318440 0.85 HRH3 (0.60) HRH3KCNH2CYP2C9CYP3A4ALDH1A1
SCHEMBL7358862 0.84 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL10274532 0.84 HRH3 (0.56) HRH3KCNH2CYP2C9CYP3A4SMN1; SMN2
SCHEMBL9808038 0.83 HRH3 (0.71) HRH3KCNH2CYP2C9CYP3A4
SCHEMBL19968145 0.83 HRH3 (0.55) HRH3KCNH2CYP2C9CYP3A4ALDH1A1
SCHEMBL10798982 0.81 HRH3 (0.60) HRH3KCNH2CYP2C9CYP3A4SMN1; SMN2

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
US-9904168-B2 Actinic ray-sensitive or radiation-sensitive resin composition, actinic ray-sensitive or radiation-sensitive film, mask blank provided with actinic ray-sensitive or radiation-sensitive film, pattern forming method, method for manufacturing electronic device, and electronic device FUJIFILM CORPORATION (JP) 2018-02-27 US disclosed