SCHEMBL9017430

SCHEMBL9017430

COc1ccc2c(c1)C(CCCONC(C)=O)c1cc(OC)ccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.43
MTNR1B P49286 9/20 0.42
NQO2 P16083 3/20 0.41
CYP1A1 P04798 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL8639568 0.82 MTNR1A (0.54) MTNR1AMTNR1BNQO2
SCHEMBL8643630 0.79 MTNR1A (0.60) MTNR1AMTNR1BNQO2
SCHEMBL8643826 0.76 MTNR1A (0.55) MTNR1AMTNR1BNQO2
SCHEMBL8885653 0.76 MTNR1A (0.60) MTNR1AMTNR1BNQO2
Hydrochloric Acid SCHEMBL8646249 0.75 HTR2A (0.41) CYP1A1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8641029 0.74 MTNR1A (0.56) MTNR1AMTNR1BNQO2
SCHEMBL8643878 0.72 MTNR1A (0.52) MTNR1AMTNR1BNQO2ALDH1A1CYP1A2
SCHEMBL8644423 0.72 MTNR1A (0.57) MTNR1AMTNR1BNQO2
Hydrochloric Acid SCHEMBL8644114 0.71 MEN1 (0.43) CYP1A1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9449391 0.71 ATM (0.43) MTNR1AMTNR1BALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747345-A2 Ethylamido fluorenes and improved method of making same BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP claimed
EP-0747345-A2 Ethylamido fluorenes and improved method of making same BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed