SCHEMBL10991548

SCHEMBL10991548

C=Cc1ccccc1CN(CCC(=O)O)C(C)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4A O75164 2/20 0.32
▸ KDM4C Q9H3R0 2/20 0.32
▸ SMPD2 O60906 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL10984140 0.86 ALOX15 (0.35) MEN1KMT2ASMPD2LMNATDP1
SCHEMBL10985506 0.80 ALOX15 (0.36) TDP1MAPT
SCHEMBL10981178 0.80 ALDH1A1 (0.34) BCHEACHEMEN1KMT2AKDM4A
SCHEMBL10983456 0.80 BCHE (0.33) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL10984383 0.79 SMN1; SMN2 (0.38) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL10985020 0.78 BCHE (0.36) BCHEACHE
SCHEMBL10984657 0.77 SMPD2 (0.43) MEN1KMT2ASMPD2ALDH1A1
SCHEMBL10985617 0.75 SMPD2 (0.39) SMPD2
SCHEMBL10980929 0.75 ALDH1A1 (0.35) LMNATDP1ALDH1A1
SCHEMBL847204 0.75 TDP1 (0.44) LMNATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4543216-A REACTING A VINYL BENZYL HALIDE WITH AN AMINO ACID OR AMINO SULFONIC ACID NIPPON PAINT CO., LTD. (JP) 1985-09-24 — — US disclosed
US-4452746-A TO MODIFY PROPERTIES OF HIGH MOLECULAR WEIGHT COMPOUNDS NIPPON PAINT CO., LTD. (JP) 1984-06-05 — — US disclosed
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