SCHEMBL28700404

SCHEMBL28700404

C1CCC(NC2CCCCC2)CC1.O=C(O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.56
ALDH1A1 P00352 1/20 0.54
EPHX1 P07099 1/20 0.53
MME P08473 1/20 0.52
ECE1 P42892 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CASP1 P29466 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48

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
SCHEMBL28706890 1.00 FOLH1 (0.56) FOLH1ALDH1A1EPHX1MMEECE1
SCHEMBL29401534 0.92 ALDH1A1 (0.53) FOLH1ALDH1A1EPHX1MEN1KMT2A
Cyclopropane SCHEMBL5691187 0.91 FOLH1 (0.65) FOLH1MMEECE1SIRT2SIRT1
SCHEMBL1111220 0.90 ALDH1A1 (0.55) ALDH1A1EPHX1MEN1KMT2ACASP1
SCHEMBL2928623 0.90 ALDH1A1 (0.55) ALDH1A1EPHX1MEN1KMT2ACASP1
Cyclohexylamine SCHEMBL28933270 0.89 FOLH1 (0.56) FOLH1MMEECE1CASP1
Cyclohexylamine SCHEMBL28933272 0.89 FOLH1 (0.56) FOLH1MMEECE1CASP1
SCHEMBL5144277 0.89 ALDH1A1 (0.59) ALDH1A1EPHX1MEN1KMT2ACASP1
SCHEMBL29402502 0.88 ITGB3 (0.49) FOLH1ALDH1A1EPHX1MEN1KMT2A
SCHEMBL910233 0.87 FOLH1 (0.70) FOLH1MMEECE1CASP1SIRT2

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
CN-113321606-A Preparation method of (S) -1- (benzyloxycarbonyl) -5-oxopyrrolidine-2-formic acid 吉尔生化(上海)有限公司 2021-08-31 CN disclosed