SCHEMBL7988540

SCHEMBL7988540

CCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc(NS(=O)(=O)c3ccc(F)cc3)cc1)NC(=O)c1ccc(C(=NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1)C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 9/20 0.38
MOGAT2 Q3SYC2 2/20 0.37
HTT P42858 1/20 0.37
ADORA1 P30542 1/20 0.36
P2RX7 Q99572 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
FPR1 P21462 4/20 0.34
FPR2 P25090 4/20 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
SCHEMBL7985231 0.94 ADORA1 (0.40) USP30ADORA1P2RX7KMT2A
SCHEMBL7986394 0.94 ADORA1 (0.40) ADORA1P2RX7KMT2AFPR1FPR2
SCHEMBL7989447 0.92 ADORA1 (0.38) ADORA1KMT2AFPR1FPR2
SCHEMBL7986490 0.89 ADORA1 (0.37) ADORA1KMT2A
SCHEMBL7974847 0.89 ADORA1 (0.39) ADORA1P2RX7KMT2A
SCHEMBL7975295 0.89 ADORA1 (0.41) ADORA1P2RX7KMT2AFPR2
SCHEMBL7975130 0.88 ADORA1 (0.42) ADORA1KMT2AALDH1A1FPR2
SCHEMBL7986852 0.88 ADORA1 (0.46) ADORA1KMT2A
SCHEMBL7986850 0.88 ADORA1 (0.46) ADORA1KMT2A
SCHEMBL7975424 0.87 ITGB3 (0.40) HTTADORA1P2RX7MEN1KMT2A

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