SCHEMBL9833979

SCHEMBL9833979

CC(=O)N(O)C1(Cc2ccccc2)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
OPRM1 P35372 2/20 0.45
OPRL1 P41146 2/20 0.45
OPRK1 P41145 1/20 0.42
ADRB2 P07550 2/20 0.41
HTT P42858 1/20 0.41
SLC6A5 Q9Y345 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
SCHEMBL2464748 0.78 OPRM1 (0.64) KMT2AALDH1A1OPRM1OPRL1OPRK1
Hydrochloric Acid SCHEMBL11729597 0.76 OPRL1 (0.62) KMT2AOPRM1OPRL1OPRK1
SCHEMBL27699362 0.73 OPRL1 (0.54) KMT2AMEN1ALDH1A1OPRM1OPRL1
SCHEMBL8569481 0.73 OPRL1 (0.46) KMT2AMEN1ALDH1A1POLBOPRM1
SCHEMBL10703927 0.73 MAOA (0.48) ALDH1A1OPRM1OPRL1OPRK1ADRB2
SCHEMBL27353384 0.72 OPRM1 (0.40) KMT2AMEN1ALDH1A1POLBOPRM1
SCHEMBL8887951 0.71 OPRM1 (0.41) KMT2AMEN1ALDH1A1POLBOPRM1
SCHEMBL28128001 0.71 OPRL1 (0.44) KMT2AMEN1ALDH1A1POLBOPRM1
Cyclohexane SCHEMBL9835197 0.69 ALOX5 (0.64) KMT2AMEN1ALDH1A1
SCHEMBL3619221 0.69 ADRB2 (0.47) KMT2AMEN1ALDH1A1ADRB2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0200377-B1 HYDROXAMATES SQUIBB & SONS INC (US) 1991-10-09 EP claimed
EP-0200377-A2 Hydroxamates E.R. Squibb & Sons, Inc. (US) 1986-11-05 EP claimed
US-4604407-A Hydroxamates E. R. SQUIBB & SONS, INC. (US) 1986-08-05 US claimed
EP-0200377-B1 HYDROXAMATES SQUIBB & SONS INC (US) 1991-10-09 EP disclosed
EP-0200377-A2 Hydroxamates E.R. Squibb & Sons, Inc. (US) 1986-11-05 EP disclosed
US-4604407-A Hydroxamates E. R. SQUIBB & SONS, INC. (US) 1986-08-05 US disclosed