SCHEMBL10690394

SCHEMBL10690394

O=Cc1ccc(OCC#CCOc2ccc(C=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
CYP2A6 P11509 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
KDM4E B2RXH2 7/20 0.47
RAB9A P51151 1/20 0.46
ALDH1A3 P47895 1/20 0.45
KMT2A Q03164 2/20 0.44
STS P08842 1/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
DRD1 P21728 1/20 0.41

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
SCHEMBL14068217 0.91 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNACYP2A6MAPT
SCHEMBL3969663 0.88 ADAM17 (0.50) ALDH1A1SMN1; SMN2LMNACYP2A6MAPT
SCHEMBL8011907 0.85 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNACYP2A6MAPT
SCHEMBL2263155 0.83 RAB9A (0.47) ALDH1A1SMN1; SMN2LMNACYP2A6MAPT
SCHEMBL825205 0.83 MAOA (0.54) ALDH1A1SMN1; SMN2LMNACYP2A6MAPT
SCHEMBL12353235 0.82 KDM4E (0.45) ALDH1A1SMN1; SMN2LMNACYP2A6MAPT
SCHEMBL8754251 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNACYP2A6MAPT
SCHEMBL851166 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2LMNACYP2A6MAPT
SCHEMBL8204708 0.77 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2LMNACYP2A6MAPT
SCHEMBL5090074 0.77 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2LMNACYP2A6MAPT

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-0273280-A2 Condensation polymer containing the residue of a poly-methine compound and shaped articles produced therefrom EASTMAN CHEMICAL COMPANY (US) 1988-07-06 EP disclosed
US-4749774-A UNSATURATED POLYESTERS EASTMAN KODAK COMPANY (US) 1988-06-07 US disclosed