SCHEMBL6979710

SCHEMBL6979710

COC(=O)CCCc1ccc2ccccc2c1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)CCc1ccc(C(=N)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 16/20 0.41
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
TRIM24 O15164 2/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6981976 0.89 NR3C1 (0.44) NR3C1BRD4CREBBPTRIM24
SCHEMBL6981576 0.88 NR3C1 (0.44) NR3C1BRD4CREBBPTRIM24
SCHEMBL6985425 0.85 NR3C1 (0.52) NR3C1ALDH1A1LMNAHPGDNPSR1
SCHEMBL6981262 0.81 NR3C1 (0.53) NR3C1ALDH1A1LMNAHPGDNPSR1
SCHEMBL6978185 0.80 ALDH1A1 (0.51) NR3C1BRD4CREBBPALDH1A1LMNA
SCHEMBL6984049 0.78 NR3C1 (0.52) NR3C1BRD4CREBBPALDH1A1LMNA
SCHEMBL7088163 0.77 PARP1 (0.37) NR3C1ALDH1A1LMNAHPGD
SCHEMBL7085092 0.76 ALDH1A1 (0.39) NR3C1ALDH1A1LMNAHPGD
SCHEMBL7089638 0.75 PARP1 (0.36) NR3C1ALDH1A1LMNAHPGDNPSR1
SCHEMBL6976718 0.74 NR3C1 (0.42) NR3C1BRD4CREBBPALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed