SCHEMBL8079848

SCHEMBL8079848

C=CC[C@H](C(=O)O)[C@H](C)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP2 P08253 6/20 0.40
MMP3 P08254 6/20 0.40
MMP7 P09237 5/20 0.40
HPGD P15428 1/20 0.39
MMP1 P03956 5/20 0.39
MMP8 P22894 2/20 0.39
ADAM17 P78536 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL8966854 1.00 MEN1 (0.48) MEN1KMT2ACYP2C19ALDH1A1LMNA
SCHEMBL8079850 1.00 MEN1 (0.48) MEN1KMT2ACYP2C19ALDH1A1LMNA
SCHEMBL4323534 0.77 CYP2C19 (0.45) MEN1KMT2ACYP2C19ALDH1A1LMNA
SCHEMBL15670960 0.75 KMT2A (0.59) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL15670729 0.75 KMT2A (0.59) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL3333078 0.74 MEN1 (0.39) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL15812399 0.73 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL15670940 0.73 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL19349131 0.73 MEN1 (0.61) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL1701279 0.72 KMT2A (0.76) MEN1KMT2AALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6140510-A Optically active 3-(1-(carbamoyl))alkyl-2-oxo-pyrrolidines and optically active 3-(1-(alkylamido))alkyl-2-oxo-pyrrolidines PHARMACIA & UPJOHN COMPANY (US) 2000-10-31 US claimed
WO-1994026708-A1 OPTICALLY ACTIVE 3-(1-(ALKYLAMINO))ALKYL PYRROLIDINES THE UPJOHN COMPANY (US) 1994-11-24 WO claimed
US-6140510-A Optically active 3-(1-(carbamoyl))alkyl-2-oxo-pyrrolidines and optically active 3-(1-(alkylamido))alkyl-2-oxo-pyrrolidines PHARMACIA & UPJOHN COMPANY (US) 2000-10-31 US disclosed
US-5962697-A Optically active 3-(1-(alkylamino))alkyl pyrrolidines PHARMACIA & UPJOHN COMPANY (US) 1999-10-05 US disclosed
US-5773610-A Optically active 3-(1-(alkylamino))alkyl pyrrolidines PHARMACIA & UPJOHN COMPANY (US) 1998-06-30 US disclosed
EP-0697015-A1 OPTICALLY ACTIVE 3-(1-(ALKYLAMINO))ALKYL PYRROLIDINES PHARMACIA & UPJOHN COMPANY (US) 1996-02-21 EP disclosed
WO-1994026708-A1 OPTICALLY ACTIVE 3-(1-(ALKYLAMINO))ALKYL PYRROLIDINES THE UPJOHN COMPANY (US) 1994-11-24 WO disclosed