SCHEMBL10345478

SCHEMBL10345478

CCC(C(=O)OCCN(C)C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.63
KDM4E B2RXH2 3/20 0.55
LMNA P02545 3/20 0.48
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
UTS2R Q9UKP6 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LSS P48449 1/20 0.43

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
SCHEMBL28434406 0.82 GAA (0.52) KDM4ELMNAHTTL3MBTL1MEN1
SCHEMBL9588998 0.81 KDM4E (0.63) CHRM1KDM4ELMNACHRM2CHRM3
Hydrochloric Acid SCHEMBL9588751 0.80 KDM4E (0.61) CHRM1KDM4ELMNACHRM2CHRM3
SCHEMBL9588393 0.79 KDM4E (0.60) CHRM1KDM4ELMNACHRM2CHRM3
Xenbucin SCHEMBL10345476 0.79 PTGS2 (0.45) KDM4EALDH1A1UTS2R
Butetamate SCHEMBL1643343 0.78 KDM4E (0.84) CHRM1KDM4ELMNACHRM2CHRM3
SCHEMBL9588277 0.77 KDM4E (0.78) CHRM1KDM4ELMNACHRM2CHRM3
SCHEMBL9588408 0.76 KDM4E (0.76) CHRM1KDM4ELMNACHRM2CHRM3
SCHEMBL3954433 0.76 KDM4E (0.62) CHRM1KDM4ELMNAHTTL3MBTL1
Xenbucin SCHEMBL24134 0.75 PTGS2 (0.58) LMNASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0105635-B1 NONIRRITATING AQUEOUS OPHTHALMIC COMPOSITIONS COMFORT FORMULATION FOR OCULAR THEREPEUTIC AGENTS ALCON LABORATORIES, INC. (US) 1990-04-04 EP disclosed
US-4559343-A ANTIINFLAMMATORY AGENT WITH XANTHINE DERIVATIVE ALCON LABORATORIES, INC. (US) 1985-12-17 US disclosed
EP-0105635-A2 Nonirritating aqueous ophthalmic compositions comfort formulation for ocular therepeutic agents ALCON LABORATORIES, INC. (US) 1984-04-18 EP disclosed