SCHEMBL7905110

SCHEMBL7905110

N[C@@H](Cc1ccc(OCc2c(Cl)cc(Cl)cc2Cl)cc1)C(=O)O.O=C(O)[C@@H]1CC(=S)CN1C(=O)Cc1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 2/20 0.37
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACACB O00763 1/20 0.34
FNTA P49354 7/20 0.34
FNTB P49356 7/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRM5 P41594 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
ITGA4 P13612 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
SCHEMBL7905108 0.90 GPR132 (0.43) GPR132ACACB
SCHEMBL7896744 0.89 FNTA (0.34) GPR132FNTAFNTBGRM5
SCHEMBL6934284 0.85 ITGA4 (0.38) ITGA4
SCHEMBL7908715 0.84 FNTA (0.33) GPR132FNTAFNTB
SCHEMBL8202004 0.81 DPP4 (0.45)
SCHEMBL7902838 0.80 ITGB1 (0.43) ITGA4
Hydrochloric Acid SCHEMBL6935551 0.80 ITGA4 (0.41) ITGA4
SCHEMBL6934152 0.80 ITGA4 (0.41) ITGA4
SCHEMBL6933976 0.79 ITGA4 (0.46) ITGA4
SCHEMBL7896696 0.79 RAB9A (0.44) GPR132ACACB

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-6197794-B1 ANTIINFLAMAMTORY AGENTS; IMMUNOLOGY DISEASES CELLTECH THERAPEUTICS LIMITED (GB) 2001-03-06 US claimed
US-6197794-B1 ANTIINFLAMAMTORY AGENTS; IMMUNOLOGY DISEASES CELLTECH THERAPEUTICS LIMITED (GB) 2001-03-06 US disclosed