SCHEMBL11340769

SCHEMBL11340769

CC(O)COc1ccc(C2CCCCC2)cc1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ADRB2 P07550 2/20 0.38
▸ PDE4B Q07343 5/20 0.37
▸ PDE4A P27815 4/20 0.37
▸ PDE4C Q08493 4/20 0.37
▸ PDE4D Q08499 4/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ MCHR1 Q99705 2/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ DRD1 P21728 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
SCHEMBL8681710 0.84 MCHR1 (0.40) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL8681755 0.84 MCHR1 (0.40) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL8681457 0.84 MCHR1 (0.40) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL8683045 0.82 HTR1A (0.39) KMT2APDE4BPDE4APDE4CPDE4D
SCHEMBL1803614 0.77 LMNA (0.51) MEN1KMT2ACYP2C9KCNH2ALDH1A1
SCHEMBL8686595 0.75 PPARG (0.38) KMT2AMCHR1PTGDR2HTR1AALDH1A1
SCHEMBL28000803 0.75 LMNA (0.53) MEN1KMT2AKCNH2ALDH1A1
SCHEMBL3390002 0.73 ACMSD (0.53) ACMSD
SCHEMBL10647655 0.73 ACHE (0.43) ADRB2CYP2C19ADRB1ADRB3PTGS1
SCHEMBL22313381 0.73 LMNA (0.40) PDE4BPDE4APDE4CPDE4DACMSD

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-4255152-A USING A DISPERSE DYE, WATER, AND AN ADDUCT OF ETHYLENE, PROPYLENE, OR STYRENE OXIDE AND A CYCLIC-SUBSTITUTED PHENOL; LEVELLING CIBA-GEIGY CORPORATION (US) 1981-03-10 — — US disclosed
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