SCHEMBL7714237

SCHEMBL7714237

CCC(Cc1ccc(Nc2nc(-c3ccc(F)cc3)cc3ccccc23)cc1)(Nc1c(OC(C)C)c(=O)c1=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.36
TP53 P04637 4/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
P2RX3 P56373 3/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL7714244 1.00 ACP1 (0.36) ACP1TP53MAPTMEN1HPGD
SCHEMBL7105529 0.84 KMT2A (0.34) TP53MAPTMEN1KMT2ATDP1
SCHEMBL7714235 0.81 MAPT (0.36) ACP1TP53MAPTMEN1HPGD
SCHEMBL7258656 0.81 ELANE (0.38) TP53MAPTMEN1HPGDKMT2A
SCHEMBL7258056 0.78 ITGB1 (0.43) ADORA3
SCHEMBL7258050 0.78 ITGB1 (0.43) ADORA3
SCHEMBL7716185 0.77 TP53 (0.33) ACP1TP53MAPTMEN1KMT2A
SCHEMBL7716183 0.76 MAPT (0.37) TP53MAPTMEN1HPGDKMT2A
SCHEMBL7105250 0.73 EGFR (0.40) TP53MAPTHPGDKMT2AKDM4E
SCHEMBL7260154 0.72 RAB9A (0.35) TP53MAPTKMT2APOLB

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-6469025-B1 FOR THE PROPHYLAXIS OR TREATMENT OF A DISEASE OR DISORDER IN A MAMMAL IN WHICH THE EXTRAVASATION OF LEUKOCYTES PLAYS A ROLE; INHIBITING THE BINDING OF ALPHA 4 INTEGRINS TO THEIR LIGANDS CELLTECH R&D LTD. (GB) 2002-10-22 US disclosed