SCHEMBL10607263

SCHEMBL10607263

COCC(C)C1=C(C)Cc2ccc(OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.42
HTR2A P28223 4/20 0.42
METAP1 P53582 3/20 0.42
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL8431676 0.77 METAP1 (0.42) HTR2CHTR2AMETAP1CHRM2CHRM4
SCHEMBL3859853 0.76 PTGS2 (0.48) HTR2CHTR2AMETAP1KMT2AGAA
SCHEMBL3869414 0.76 METAP1 (0.42) HTR2CHTR2AMETAP1CHRM2CHRM4
SCHEMBL9730321 0.75 METAP1 (0.50) HTR2CHTR2AMETAP1CHRM2CHRM4
SCHEMBL6936252 0.75 METAP1 (0.43) HTR2CHTR2AMETAP1KMT2AGAA
SCHEMBL7605900 0.73 AKR1C3 (0.51) METAP1KMT2AGAAMEN1SMN1; SMN2
SCHEMBL13969778 0.73 METAP1 (0.57) HTR2CHTR2AMETAP1KMT2AGAA
SCHEMBL11761342 0.72 METAP1 (0.45) HTR2CHTR2AMETAP1KMT2AGAA
SCHEMBL7409039 0.71 FFAR1 (0.44) METAP1GAAALDH1A1HPGDKDM4E
SCHEMBL11811157 0.70 ALDH1A1 (0.43) METAP1CHRM2CHRM4CHRM5CHRM1

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
EP-0142801-B1 INDENE DERIVATIVES USEFUL AS PAF-ANTAGONISTS MERCK & CO. INC. (US) 1989-05-31 EP disclosed