SCHEMBL30282986

SCHEMBL30282986

CCCOC(=O)c1cc(C(=O)OCCC)c2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 7/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 1/20 0.50
MAPT P10636 2/20 0.49
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
GABRA4 P48169 1/20 0.49
GABRE P78334 1/20 0.49
GABRA6 Q16445 1/20 0.49
GABRG1 Q8N1C3 1/20 0.49

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
SCHEMBL3330317 0.82 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL13209979 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL9379145 0.80 P2RY12 (0.48) ALDH1A1SMN1; SMN2LMNAMAPTGABRP
SCHEMBL5400497 0.80 PLA2G2A (0.65) ALDH1A1SMN1; SMN2KDM4EHSD17B10LMNA
SCHEMBL31310820 0.80 PLA2G2A (0.65) ALDH1A1SMN1; SMN2KDM4EHSD17B10LMNA
SCHEMBL662410 0.79 KDM4E (0.56) ALDH1A1SMN1; SMN2KDM4EHSD17B10MAPT
SCHEMBL1636608 0.78 ATM (0.72) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL72379 0.78 KDM4E (0.70) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL9200082 0.77 HTR3E (0.62) ALDH1A1SMN1; SMN2KDM4ELMNAPLA2G2A
SCHEMBL31310821 0.77 ALDH1A1 (0.61) ALDH1A1KDM4EHSD17B10LMNAMAPT

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-115894483-A Intermediate and method for preparing pyrroloquinoline quinone 山东原力泰医药科技有限公司 2023-04-04 CN disclosed