SCHEMBL7280201

SCHEMBL7280201

COc1cccc(C(=O)N(CC(=O)O)C2CCCC2)c1S

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
THRB P10828 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
AGER Q15109 1/20 0.39

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
SCHEMBL7291148 0.85 SMN1; SMN2 (0.46) SMN1; SMN2TSHRLMNAMAPTALDH1A1
SCHEMBL7290560 0.84 MEN1 (0.44) MAPTALDH1A1
SCHEMBL7291138 0.82 SMN1; SMN2 (0.44) SMN1; SMN2TSHRLMNAMAPTALDH1A1
SCHEMBL11083984 0.81 SLC6A9 (0.48) TSHRMAPTALDH1A1NPSR1AGER
SCHEMBL7277786 0.80 SLC6A2 (0.44)
SCHEMBL11077996 0.79 SLC6A9 (0.45) MAPTAGER
SCHEMBL11089047 0.76 AKR1B10 (0.41) SMN1; SMN2TSHRMAPTALDH1A1TRPM8
SCHEMBL11083674 0.74 KMT2A (0.48) TSHRLMNAALDH1A1AGER
SCHEMBL7286178 0.73 MEN1 (0.46) LMNAMAPTALDH1A1
SCHEMBL7286509 0.73 KDM4E (0.47) ALDH1A1NPSR1AGER

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
US-4479950-A Aroylaminoacid disulfides USV PHARMACEUTICAL CORPORATION (US) 1984-10-30 US disclosed
US-4440941-A Aroyl-aminoacids, amides and esters thereof USV PHARMACEUTICAL CORPORATION (US) 1984-04-03 US disclosed
US-4347246-A Antihypertensive lactams USV PHARMACEUTICAL CORPORATION (US) 1982-08-31 US disclosed
EP-0054936-A1 Aroyl amino acids USV PHARMACEUTICAL CORPORATION (US) 1982-06-30 EP disclosed