SCHEMBL7963147

SCHEMBL7963147

CCCCN(CO)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA9 Q16790 3/20 0.33
ALDH2 P05091 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 3/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL7965019 0.84
SCHEMBL865548 0.84 MMP1 (0.36) MMP1MMP2MMP3MMP8ALDH1A1
SCHEMBL7933576 0.83 ALDH1A1 (0.39) MMP1MMP2MMP3MMP8ALDH1A1
SCHEMBL2058526 0.83 MMP1 (0.34) MMP1MMP2MMP3MMP8ALDH1A1
Hydrochloric Acid SCHEMBL1428262 0.81 DNM1 (0.38) MMP1MMP2MMP3MMP8ALDH1A1
Bromide SCHEMBL31364322 0.81 DNM1 (0.38) MMP1MMP2MMP3MMP8ALDH1A1
Water SCHEMBL28587222 0.81 TSHR (0.35) MMP1MMP2MMP3MMP8ALDH1A1
SCHEMBL7965316 0.81 ALDH1A1 (0.33) MMP1MMP2MMP3MMP8ALDH1A1
SCHEMBL865718 0.79 DNM1 (0.43) MMP1MMP2MMP3MMP8CA12
SCHEMBL865701 0.79 FDPS (0.36) MMP1MMP2MMP3MMP8ALDH1A1

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 8 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
US-5602074-A HERBICIDES; PLANT DESICCATION, DEFOLIATION BASF AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
EP-0641321-A1 SUBSTITUTED ISOINDOLONES BASF Aktiengesellschaft (DE) 1995-03-08 EP disclosed
EP-0637298-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF Aktiengesellschaft (DE) 1995-02-08 EP disclosed
WO-1993024456-A1 SUBSTITUTED ISOINDOLONES BASF AKTIENGESELLSCHAFT (DE) 1993-12-09 WO disclosed
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed