SCHEMBL11140519

SCHEMBL11140519

CCCCCCC(=O)Oc1ccc2cc([C@H]3CC[C@H](CCCCC)CC3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CA2 P00918 3/20 0.42
HPGD P15428 3/20 0.41
HTR1A P08908 1/20 0.41
HTR1B P28222 1/20 0.41
CYP2C9 P11712 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BCHE P06276 1/20 0.38

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
SCHEMBL11144764 1.00 KMT2A (0.45) KMT2AALDH1A1MEN1MAPK1TDP1
SCHEMBL11140522 1.00 KMT2A (0.45) KMT2AALDH1A1MEN1MAPK1TDP1
SCHEMBL11140310 1.00 KMT2A (0.45) KMT2AALDH1A1MEN1MAPK1TDP1
SCHEMBL11141875 1.00 KMT2A (0.45) KMT2AALDH1A1MEN1MAPK1TDP1
SCHEMBL11145671 1.00 KMT2A (0.45) KMT2AALDH1A1MEN1MAPK1TDP1
SCHEMBL11141882 1.00 KMT2A (0.45) KMT2AALDH1A1MEN1MAPK1TDP1
SCHEMBL11144760 1.00 KMT2A (0.45) KMT2AALDH1A1MEN1MAPK1TDP1
SCHEMBL11140306 1.00 KMT2A (0.45) KMT2AALDH1A1MEN1MAPK1TDP1
SCHEMBL11145623 1.00 KMT2A (0.45) KMT2AALDH1A1MEN1MAPK1TDP1
SCHEMBL11139282 0.99 KMT2A (0.44) KMT2AALDH1A1MEN1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4386007-A ELECTROOPTIC DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-05-31 US disclosed