SCHEMBL7714197

SCHEMBL7714197

CC(c1ccc(Oc2nc(Cl)cc3ccccc23)cc1)C(Nc1c(N2CCCCCC2)c(=O)c1=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36
CSF1R P07333 1/20 0.34
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 4/20 0.32
AKR1B1 P15121 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALOX12 P18054 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
POLB P06746 1/20 0.31
IDH1 O75874 1/20 0.31
GLA P06280 1/20 0.30
ACACB O00763 2/20 0.30

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
SCHEMBL7714160 0.87 AKR1B1 (0.32) AKR1B1PTGESALOX5FFAR1
SCHEMBL7264060 0.84 ITGB1 (0.55) ITGB1ITGA4
SCHEMBL7710672 0.82 AKR1B1 (0.34) AKR1B1KDM4EGAAPTGESALOX5
SCHEMBL7714195 0.81 ITGB1 (0.46) ITGB1ITGA4MAPT
SCHEMBL7714199 0.81 ITGB1 (0.46) ITGB1ITGA4MAPT
SCHEMBL7714203 0.78 HPGD (0.36) ITGB1ITGA4CSF1RHPGDALDH1A1
SCHEMBL7718424 0.76 ACACB (0.31) AKR1B1ACACBFFAR1
SCHEMBL7718457 0.76 ITGA4 (0.56) ITGB1ITGA4HPGDNPSR1
SCHEMBL7710729 0.73 SLC2A1 (0.36) ITGB1ITGA4TSHRHPGDALDH1A1
SCHEMBL7265041 0.72 ITGB1 (0.44) ITGB1ITGA4

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-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed