SCHEMBL6774680

SCHEMBL6774680

Cc1ccc(CCCCCC(=O)c2ccc(CCC(C)(N)CO)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PRNP P04156 1/20 0.41
RECQL P46063 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
S1PR1 P21453 9/20 0.41
S1PR3 Q99500 6/20 0.41
S1PR5 Q9H228 2/20 0.41
HPGD P15428 1/20 0.39
NAAA Q02083 1/20 0.38
TNNC1 P63316 5/20 0.37
SGPL1 O95470 1/20 0.37
S1PR4 O95977 1/20 0.37
GPR183 P32249 1/20 0.37
CERS2 Q96G23 1/20 0.37
DAGLA Q9Y4D2 1/20 0.36

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
SCHEMBL5167470 0.99 POLB (0.43) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL6770520 0.95 S1PR1 (0.44) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL3509370 0.90 S1PR1 (0.41) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL3509408 0.90 S1PR1 (0.41) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL5166341 0.90 POLB (0.48) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL5169197 0.90 POLB (0.45) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL385369 0.89 POLB (0.42) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL5168929 0.89 POLB (0.42) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL3082998 0.89 TDP1 (0.46) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL383586 0.89 TDP1 (0.46) POLBTDP1ALDH1A1LMNAPRNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US claimed