SCHEMBL9498632

SCHEMBL9498632

CCC(O)c1ccc(-c2ccc(C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
PGR P06401 2/20 0.46
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
FFAR1 O14842 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
GRIA4 P48058 1/20 0.39
FAAH O00519 1/20 0.37
CHRNA7 P36544 1/20 0.37
ACHE P22303 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP2C9 P11712 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ESR1 P03372 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL3921442 0.93 LMNA (0.62) LMNAPGRALDH1A1MAPTSMN1; SMN2
SCHEMBL874873 0.93 LMNA (0.62) LMNAPGRALDH1A1MAPTSMN1; SMN2
SCHEMBL4576404 0.93 LMNA (0.62) LMNAPGRALDH1A1MAPTSMN1; SMN2
SCHEMBL29861210 0.91 LMNA (0.65) LMNAPGRALDH1A1MAPTSMN1; SMN2
SCHEMBL1607138 0.83 LMNA (0.75) LMNAPGRALDH1A1MAPTSMN1; SMN2
SCHEMBL13849288 0.83 ESR1 (0.56) LMNAPGRALDH1A1MAPTSMN1; SMN2
SCHEMBL9771901 0.83 LMNA (0.75) LMNAPGRMAPTSMN1; SMN2CYP17A1
SCHEMBL7140169 0.81 LMNA (0.54) LMNAPGRALDH1A1MAPTGRIA4
SCHEMBL11312030 0.81 LMNA (0.54) LMNAPGRFFAR1SMN1; SMN2TDP1
SCHEMBL9502184 0.81 LMNA (0.54) LMNAPGRALDH1A1SMN1; SMN2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354655-B1 1-PHENYL-1-PROPANOL DERIVATIVES CHISSO CORPORATION (JP) 1993-04-07 EP disclosed
US-5076947-A Optically active; free from temperature dependence CHISSO CORPORATION (JP) 1991-12-31 US disclosed
EP-0354655-A2 1-Phenyl-1-propanol derivatives CHISSO CORPORATION (JP) 1990-02-14 EP disclosed