SCHEMBL11385685

SCHEMBL11385685

O=Cc1ccc(OCCCCC2OCCO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 2/20 0.41
PPARA Q07869 1/20 0.39
PTGES O14684 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2A6 P11509 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
SCHEMBL14166261 0.98 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL12933666 0.96 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL27950338 0.95 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL8633351 0.91 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL27452158 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL8844957 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL27390202 0.85 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL18918539 0.83 MAOA (0.47) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL19610339 0.82 HDAC3 (0.44) KMT2AMEN1NPC1RAB9A
SCHEMBL14166030 0.82 MAOA (0.46) ALDH1A1SMN1; SMN2NPC1RAB9A

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-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 EP disclosed
US-4287335-A WHEREIN SAID COMPOUND IS A STYRYLPYRIDINIUM SALT OR A STYRYLQUINOLINIUM SALT USEFUL IN PRODUCING A PHOTOSENSITIVE RESIN AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1981-09-01 US disclosed