SCHEMBL11095339

SCHEMBL11095339

CCOC(=O)CCCCCCC(NCCC(O)c1cccs1)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.38
NAMPT P43490 1/20 0.38
PPARG P37231 2/20 0.37
FAAH O00519 2/20 0.37
POLB P06746 1/20 0.37
PTGER2 P43116 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARA Q07869 1/20 0.35
TOP2A P11388 1/20 0.34

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
SCHEMBL11088418 0.83 CYP3A4 (0.47) KMT2AALDH1A1NAMPTFAAHCYP4F2
SCHEMBL11092658 0.82 LMNA (0.47) KMT2AALDH1A1POLB
SCHEMBL11095919 0.81 KMT2A (0.44) KMT2AALDH1A1NAMPTPOLBPTGER2
SCHEMBL11092092 0.80 KMT2A (0.42) KMT2AALDH1A1NAMPTPPARGFAAH
SCHEMBL11093116 0.80 ALDH1A1 (0.43) KMT2AALDH1A1NAMPTFAAHCYP4F2
SCHEMBL11094010 0.80 KMT2A (0.43) KMT2AALDH1A1NAMPTPOLBPTGER2
SCHEMBL2515076 0.79 NPC1 (0.42) KMT2AALDH1A1L3MBTL1CYP4F2CYP4A11
SCHEMBL11095337 0.79 KMT2A (0.41) KMT2AALDH1A1NAMPTFAAHPOLB
SCHEMBL11090280 0.79 KMT2A (0.43) KMT2AALDH1A1NAMPTPOLBPTGER2
SCHEMBL11093120 0.78 PPARG (0.43) KMT2AALDH1A1NAMPTPPARGFAAH

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
US-4486443-A PROSTAGLANDIN-LIKE EFFECTS BURROUGHS WELLCOME CO. (US) 1984-12-04 US disclosed
EP-0001238-B1 HYDANTOIN DERIVATIVES, THEIR SYNTHESIS, PHARMACEUTICAL FORMULATIONS AND INTERMEDIATES IN THEIR PREPARATION THE WELLCOME FOUNDATION LIMITED (GB) 1984-07-04 EP disclosed
US-4262128-A HAVING PROSTAGLANDIN-LIKE BIOLOGICAL PROPERTIES BURROUGHS WELLCOME CO. (US) 1981-04-14 US disclosed