SCHEMBL28739946

SCHEMBL28739946

NN(C(=O)c1ccccc1)C(CCC(=O)O)C(=O)OCCCl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PPARA Q07869 1/20 0.33
CPA3 P15088 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
FOLH1 Q04609 1/20 0.32
GAA P10253 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 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
SCHEMBL1083608 0.81 CPA3 (0.42) NR4A2POLBTDP1LMNAHSD17B10
SCHEMBL1083606 0.81 CPA3 (0.42) NR4A2POLBTDP1LMNAHSD17B10
SCHEMBL9810832 0.75 SMN1; SMN2 (0.44) TDP1ALDH1A1TSHR
SCHEMBL9814706 0.71 KMT2A (0.40) POLBTDP1HSD17B10ALDH1A1CYP2C19
SCHEMBL28907590 0.70 KDM4E (0.38) LMNACPA3CYP1A2FOLH1HDAC3
SCHEMBL28797503 0.69 CPA3 (0.42) NR4A2POLBTDP1LMNAHSD17B10
SCHEMBL31266570 0.69 CPA3 (0.42) NR4A2POLBTDP1LMNAHSD17B10
SCHEMBL28500277 0.69 FOLH1 (0.45) TDP1LMNACYP2C19FOLH1HDAC3
SCHEMBL11439593 0.69 KMT2A (0.46) LMNAALDH1A1FOLH1
SCHEMBL8668465 0.68 EGFR (0.37) NR4A2POLBTDP1LMNAHSD17B10

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
CN-108434440-B Polypeptide vaccine 新加坡科技研究局 2022-08-23 CN disclosed
CN-107098970-B Antibodies that bind to intracellular PRL-1 or PRL-3 polypeptides 新加坡科技研究局 2021-11-23 CN disclosed