SCHEMBL7967475

SCHEMBL7967475

CC(C)CC(C)NC(C)[O]

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 2/20 0.32
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL13995976 0.81 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1CYP3A4ALOX15
SCHEMBL314769 0.81 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1CYP3A4ALOX15
SCHEMBL13995936 0.75 TDP1 (0.44) ALDH1A1TSHRMAPK1CYP3A4ALOX15
SCHEMBL13995874 0.75 TDP1 (0.44) ALDH1A1TSHRMAPK1CYP3A4ALOX15
SCHEMBL27997458 0.75 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1CYP3A4ALOX15
SCHEMBL12703373 0.75 TDP1 (0.44) ALDH1A1TSHRMAPK1CYP3A4ALOX15
SCHEMBL5164759 0.73
SCHEMBL13995875 0.71 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1CYP3A4ALOX15
SCHEMBL13995937 0.71 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1CYP3A4ALOX15
SCHEMBL22604077 0.71 TSHR (0.45) ALDH1A1TSHRMAPK1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
EP-0637298-B1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AG (DE) 1999-03-31 EP disclosed
US-5817603-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
EP-0641321-A1 SUBSTITUTED ISOINDOLONES BASF Aktiengesellschaft (DE) 1995-03-08 EP disclosed
WO-1993024456-A1 SUBSTITUTED ISOINDOLONES BASF AKTIENGESELLSCHAFT (DE) 1993-12-09 WO disclosed