SCHEMBL9844772

SCHEMBL9844772

[CH2]CCCC(=O)Oc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 3/20 0.50
PGR P06401 1/20 0.50
GAA P10253 1/20 0.50
PTGS1 P23219 1/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 4/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PIN1 Q13526 1/20 0.44
MMP2 P08253 1/20 0.43
RECQL P46063 1/20 0.43
OGG1 O15527 1/20 0.43
FABP7 O15540 3/20 0.43
FABP3 P05413 3/20 0.43
FABP5 Q01469 3/20 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
SCHEMBL25244833 0.90 ALDH1A1 (0.56) KMT2AHSD17B10ALDH1A1PGRGAA
SCHEMBL11759471 0.89 ALDH1A1 (0.54) KMT2AHSD17B10ALDH1A1PGRGAA
SCHEMBL11018495 0.89 ALDH1A1 (0.54) KMT2AHSD17B10ALDH1A1PGRGAA
SCHEMBL11370297 0.87 ALDH1A1 (0.59) KMT2AHSD17B10ALDH1A1PGRGAA
SCHEMBL7749745 0.84 MEN1 (0.61) KMT2AHSD17B10ALDH1A1PGRGAA
SCHEMBL28708469 0.84 ALDH1A1 (0.55) KMT2AHSD17B10ALDH1A1PGRGAA
SCHEMBL5145481 0.83 ALDH1A1 (0.56) KMT2AHSD17B10ALDH1A1PGRGAA
SCHEMBL9446507 0.83 ALDH1A1 (0.56) KMT2AHSD17B10ALDH1A1PGRGAA
SCHEMBL7086844 0.83 MEN1 (0.56) KMT2AHSD17B10ALDH1A1PGRGAA
SCHEMBL11018498 0.83 ALDH1A1 (0.54) KMT2AHSD17B10ALDH1A1PGRGAA

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
US-5076831-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-12-31 US disclosed
EP-0430004-A2 1,8-Naphthalimides as antidotes BASF Aktiengesellschaft (DE) 1991-06-05 EP disclosed