SCHEMBL9869434

SCHEMBL9869434

CCOC(C)c1ccc2c(c1C(=O)O)Cc1ccccc1O2.NC(=S)S

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 1/20 0.34
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MAPT P10636 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL9778781 0.93 ACSL1 (0.38) ACSL1MAOAMAOBMAPTPPARG
SCHEMBL9778623 0.85 ACSL1 (0.35) ACSL1MAOAMAOBMAPTPPARG
SCHEMBL9778585 0.82 ACSL1 (0.35) ACSL1MAOAMAOBMAPTPPARG
SCHEMBL9873316 0.82 MAOA (0.35) ACSL1MAOAMAOBMAPT
SCHEMBL9308114 0.82 MAOA (0.35) ACSL1MAOAMAOBMAPT
SCHEMBL9778612 0.82 MAOA (0.35) ACSL1MAOAMAOBMAPT
Potassium Ion SCHEMBL9778711 0.82 MAOA (0.35) ACSL1MAOAMAOBMAPT
SCHEMBL9806604 0.82 MAOA (0.35) ACSL1MAOAMAOBMAPT
SCHEMBL2141177 0.82 MAOA (0.35) ACSL1MAOAMAOBMAPT
SCHEMBL9870411 0.82 CA12 (0.36) ACSL1MAOAMAOBMAPTLMNA

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-5055211-A Lubricating oil containing a mixed ligand metal complex and a metal thiophosphate EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-10-08 US disclosed