SCHEMBL7992607

SCHEMBL7992607

CCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc(NS(=O)(=O)c3ccc(F)cc3)cc1)NC(=O)OC(C)(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.46
P2RX7 Q99572 3/20 0.42
MOGAT2 Q3SYC2 4/20 0.42
PABPC1 P11940 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
PTPRB P23467 1/20 0.41
FPR1 P21462 4/20 0.39
FPR2 P25090 4/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL7985627 0.93 ADORA1 (0.52) ADORA1P2RX7PABPC1KMT2APTPRB
SCHEMBL7986071 0.93 ADORA1 (0.52) ADORA1P2RX7PABPC1KMT2APTPRB
SCHEMBL7985657 0.90 ADORA1 (0.50) ADORA1P2RX7PABPC1KMT2APTPRB
SCHEMBL7986391 0.87 ADORA1 (0.47) ADORA1P2RX7PABPC1KMT2APTPRB
Trifluoroacetic Acid SCHEMBL7986421 0.86 ITGB3 (0.43) P2RX7MOGAT2HTT
SCHEMBL7988540 0.86 USP30 (0.38) ADORA1P2RX7MOGAT2ALDH1A1MEN1
SCHEMBL7975784 0.86 ADORA1 (0.53) ADORA1P2RX7PABPC1KMT2APTPRB
SCHEMBL7986065 0.85 ADORA1 (0.51) ADORA1P2RX7PABPC1KMT2APTPRB
SCHEMBL7992666 0.85 ADORA1 (0.56) ADORA1P2RX7KMT2APTPRB
SCHEMBL7985559 0.84 ADORA1 (0.50) ADORA1P2RX7KMT2AGAAPTPRB

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-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed