SCHEMBL29352013

SCHEMBL29352013

NCC1(C(=O)O)CC=CCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CYP2C19 P33261 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2419343 0.80 CYP2C19 (0.32) CYP2C19
SCHEMBL29988018 0.80 CYP2C19 (0.32) CYP2C19
SCHEMBL7825176 0.80 CYP2C19 (0.50) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL873448 0.80 CYP2C19 (0.32) CYP2C19
SCHEMBL11741871 0.78 CYP2C19 (0.31) CYP2C19
SCHEMBL11741880 0.78 CYP2C19 (0.31) CYP2C19
SCHEMBL11741874 0.78 CYP2C19 (0.31) CYP2C19
SCHEMBL9010882 0.78 CYP2C19 (0.31) CYP2C19
SCHEMBL27670649 0.77 CYP2C19 (0.31) CYP2C19
SCHEMBL11722581 0.76 CYP2C19 (0.33) CYP2C19

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-113956173-A Preparation method of tranexamic acid 烟台万润药业有限公司 2022-01-21 CN disclosed