SCHEMBL17047299

SCHEMBL17047299

CCCCC1(OC(=O)C=CC(=O)O)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.46
CTSK P43235 5/20 0.38
CTSL P07711 4/20 0.38
CTSB P07858 3/20 0.38
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSS P25774 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32

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
SCHEMBL17047297 1.00 HCAR2 (0.46) HCAR2CTSKCTSLCTSBATM
SCHEMBL8106041 0.94 ATM (0.40) HCAR2CTSKCTSLCTSBATM
SCHEMBL17047296 0.94 ATM (0.40) HCAR2CTSKCTSLCTSBATM
SCHEMBL8101633 0.92 ATM (0.41) HCAR2CTSKCTSLCTSBATM
SCHEMBL8099571 0.87 ATM (0.40) HCAR2CTSKCTSLCTSBATM
SCHEMBL1402168 0.84 HCAR2 (0.44) HCAR2CTSKCTSLCTSB
SCHEMBL1402169 0.84 HCAR2 (0.44) HCAR2CTSKCTSLCTSB
SCHEMBL1524442 0.84 HCAR2 (0.44) HCAR2CTSKCTSLCTSB
SCHEMBL6907004 0.82 HCAR2 (0.47) HCAR2ATM
SCHEMBL18940873 0.82 HCAR2 (0.46) HCAR2CTSKCTSLCTSB

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-3110867-A1 COATING COMPOSITIONS COMPRISING DIISOCYANATE CHAIN EXTENDED BISASPARTATES Coatings Foreign IP Co. LLC (US) 2017-01-04 EP claimed
EP-3110869-A1 COATING COMPOSITIONS COMPRISING DIISOCYANATE CHAIN EXTENDED BISASPARTATES Coatings Foreign IP Co. LLC (US) 2017-01-04 EP claimed
WO-2015130502-A1 COATING COMPOSITIONS COMPRISING DIISOCYANATE CHAIN EXTENDED BISASPARTATES AXALTA COATING SYSTEMS IP CO., LLC (US) 2015-09-03 WO claimed
WO-2015130501-A1 COATING COMPOSITIONS COMPRISING DIISOCYANATE CHAIN EXTENDED BISASPARTATES AXALTA COATING SYSTEMS IP CO., LLC (US) 2015-09-03 WO claimed