SCHEMBL28117411

SCHEMBL28117411

C(OCC1CO1)C1CO1.C=C(C(=O)OC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
MGLL Q99685 3/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4441961 0.82 ALDH1A1 (0.54) ALDH1A1TDP1MGLL
SCHEMBL829508 0.80 TSHR (0.56) ALDH1A1TDP1ATMHPGDSMN1; SMN2
SCHEMBL3667627 0.79 TDP1 (0.47) ALDH1A1TDP1MGLLSMN1; SMN2GLA
Benzoic Acid SCHEMBL283023 0.79 DAO (0.50) ALDH1A1TDP1MGLLGLATSHR
Benzophenone SCHEMBL27841911 0.79 TDP1 (0.50) ALDH1A1TDP1MGLLATMGLA
Benzil SCHEMBL13571700 0.79 CES2 (0.50) TDP1MGLLHPGD
Methane SCHEMBL28271932 0.78 TSHR (0.54) ALDH1A1TDP1ATMHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL19749005 0.78 TSHR (0.54) ALDH1A1TDP1ATMHPGDSMN1; SMN2
SCHEMBL27969032 0.78 TSHR (0.54) ALDH1A1TDP1ATMHPGDSMN1; SMN2
Formaldehyde SCHEMBL27990834 0.78 TSHR (0.54) ALDH1A1TDP1ATMHPGDSMN1; 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
CN-103764708-B Photopolymerizable composition, photopolymerizable coating agent, laminate, and polarizing plate 东洋油墨SC控股株式会社 2016-12-14 CN disclosed