SCHEMBL8299291

SCHEMBL8299291

O=C(O)c1cccc2c1CCCCO2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.44
FABP4 P15090 9/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
FABP3 P05413 2/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MYC P01106 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 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
SCHEMBL984633 0.95 SMN1; SMN2 (0.44) GFERFABP4SMN1; SMN2MEN1KMT2A
SCHEMBL496918 0.88 SLC9A1 (0.43) FABP4SMN1; SMN2FABP3ALDH1A1ALOX15
SCHEMBL5401523 0.80 PARP1 (0.50) ALDH1A1ALOX15
SCHEMBL29226728 0.80 MTNR1A (0.45) SMN1; SMN2
Hydrochloric Acid SCHEMBL28757986 0.79 PARP1 (0.49) ALOX15
SCHEMBL6677783 0.78 TSHR (0.49) KMT2AALDH1A1
SCHEMBL7357302 0.77 MTNR1A (0.55) GFERFABP4SMN1; SMN2MEN1KMT2A
SCHEMBL26216592 0.76 TDP1 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1ALOX15
SCHEMBL5764412 0.76 MTNR1A (0.43)
SCHEMBL1672057 0.76 KDM4E (0.49) SMN1; SMN2MEN1KMT2AALDH1A1ALOX15

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
WO-2005000837-A1 AMINOSULFONYL SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 WO disclosed