SCHEMBL6957181

SCHEMBL6957181

[CH2]CN1C(=O)c2ccc(F)cc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 3/20 0.45
RPS6KA2 Q15349 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
KDM4E B2RXH2 2/20 0.41
AR P10275 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CASP3 P42574 1/20 0.40
GRM5 P41594 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.38
EGFR P00533 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
SCHEMBL10450206 0.81 PARK7 (0.62) PARK7RPS6KA2DDB1CRBNKDM4E
SCHEMBL7216276 0.77 S100A4 (0.47) KDM4ECA9NPC1
SCHEMBL6955085 0.77 CASP1 (0.55) RPS6KA2DDB1CRBNKDM4ENPC1
SCHEMBL31430155 0.75 KMT2A (0.63) PARK7CA1CA7CASP3EGFR
SCHEMBL3009269 0.75 KDM4E (0.49) PARK7KDM4E
SCHEMBL121199 0.74 ALDH1A1 (0.55) KDM4ECA9CASP3NPC1RAB9A
SCHEMBL8417452 0.74 ALDH1A1 (0.55) PARK7DDB1CRBNKDM4EAR
SCHEMBL10451307 0.73 ACHE (0.49) KDM4E
SCHEMBL8040297 0.73 PARK7 (0.68) PARK7KDM4ECA1CA2CA7
SCHEMBL1734116 0.72 ESR1 (0.58) ARCA1CA2CA9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0898562-B1 HYDROXAMIC ACID DERIVATIVES FOR USE WITH THE TREATMENT OF DISEASES RELATED TO CONNECTIVE TISSUE DEGRADATION UPJOHN CO (US) 2003-01-22 EP claimed
CN-1210517-A Hydroxamic acid derivatives for use with treatment of diseases related to connective tissue degradation UPJOHN CO (US) 1999-03-10 CN claimed
EP-0898562-A1 HYDROXAMIC ACID DERIVATIVES FOR USE WITH THE TREATMENT OF DISEASES RELATED TO CONNECTIVE TISSUE DEGRADATION PHARMACIA & UPJOHN COMPANY (US) 1999-03-03 EP claimed
US-5712300-A ENZYME INHIBITOR PHARMACIA & UPJOHN COMPANY (US) 1998-01-27 US claimed
WO-1997032846-A1 HYDROXAMIC ACID DERIVATIVES FOR USE WITH THE TREATMENT OF DISEASES RELATED TO CONNECTIVE TISSUE DEGRADATION PHARMACIA & UPJOHN COMPANY (US) 1997-09-12 WO claimed
EP-0898562-B1 HYDROXAMIC ACID DERIVATIVES FOR USE WITH THE TREATMENT OF DISEASES RELATED TO CONNECTIVE TISSUE DEGRADATION UPJOHN CO (US) 2003-01-22 EP disclosed
CN-1210517-A Hydroxamic acid derivatives for use with treatment of diseases related to connective tissue degradation UPJOHN CO (US) 1999-03-10 CN disclosed
EP-0898562-A1 HYDROXAMIC ACID DERIVATIVES FOR USE WITH THE TREATMENT OF DISEASES RELATED TO CONNECTIVE TISSUE DEGRADATION PHARMACIA & UPJOHN COMPANY (US) 1999-03-03 EP disclosed
US-5712300-A ENZYME INHIBITOR PHARMACIA & UPJOHN COMPANY (US) 1998-01-27 US disclosed
WO-1997032846-A1 HYDROXAMIC ACID DERIVATIVES FOR USE WITH THE TREATMENT OF DISEASES RELATED TO CONNECTIVE TISSUE DEGRADATION PHARMACIA & UPJOHN COMPANY (US) 1997-09-12 WO disclosed