SCHEMBL9637650

SCHEMBL9637650

CC(=O)C(CCCCCS)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.50
CPB2 Q96IY4 1/20 0.38
GPR84 Q9NQS5 3/20 0.38
FFAR1 O14842 1/20 0.38
MAPT P10636 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
GSTK1 Q9Y2Q3 1/20 0.35
ENPEP Q07075 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL9638476 1.00 FOLH1 (0.50) FOLH1CPB2GPR84FFAR1MAPT
SCHEMBL9637766 1.00 FOLH1 (0.50) FOLH1CPB2GPR84FFAR1MAPT
SCHEMBL9637745 1.00 FOLH1 (0.50) FOLH1CPB2GPR84FFAR1MAPT
SCHEMBL9637611 0.98 FOLH1 (0.48) FOLH1CPB2GPR84FFAR1MAPT
SCHEMBL9638452 0.91 FOLH1 (0.47) FOLH1CPB2MAPTENPEP
SCHEMBL6922740 0.89 GPR84 (0.44) CPB2GPR84FFAR1MAPTLCK
SCHEMBL15869655 0.86 FOLH1 (0.57) FOLH1CPB2GPR84FFAR1MAPT
SCHEMBL15869595 0.86 FOLH1 (0.57) FOLH1CPB2GPR84FFAR1MAPT
SCHEMBL551385 0.86 FOLH1 (0.57) FOLH1CPB2GPR84FFAR1MAPT
SCHEMBL4127084 0.86 FOLH1 (0.57) FOLH1CPB2GPR84FFAR1MAPT

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-0367508-B1 MERCAPTOALKYL ACETOACETATES, USE THEREOF AND A PROCESS FOR THE PREPARATION OF MERCAPTOALKYL ACETOACETATES ROHM AND HAAS COMPANY (US) 1992-07-22 EP claimed
EP-0367508-A1 Mercaptoalkyl acetoacetates, use thereof and a process for the preparation of mercaptoalkyl acetoacetates ROHM AND HAAS COMPANY (US) 1990-05-09 EP claimed
EP-0367508-B1 MERCAPTOALKYL ACETOACETATES, USE THEREOF AND A PROCESS FOR THE PREPARATION OF MERCAPTOALKYL ACETOACETATES ROHM AND HAAS COMPANY (US) 1992-07-22 EP disclosed
EP-0367508-A1 Mercaptoalkyl acetoacetates, use thereof and a process for the preparation of mercaptoalkyl acetoacetates ROHM AND HAAS COMPANY (US) 1990-05-09 EP disclosed