SCHEMBL25837659

SCHEMBL25837659

COc1cc2c(OCc3ccccc3)cc(C(=O)O)c(-c3ccccc3)c2cc1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
GAA P10253 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
APP P05067 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
P2RY12 Q9H244 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CG P48736 1/20 0.41
CCR5 P51681 1/20 0.41

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
SCHEMBL25837469 0.80 CTSV (0.46) GAA
SCHEMBL25837383 0.78 CTSV (0.48) SMN1; SMN2HPGD
SCHEMBL10293152 0.77 KDM4E (0.41) KDM4EGAASMN1; SMN2HSD17B10MEN1
SCHEMBL15763615 0.77 MGAM (0.44) GAA
SCHEMBL18827163 0.75 GSK3B (0.51) KDM4EGAASMN1; SMN2
SCHEMBL22148986 0.75 PTPN1 (0.48) SMN1; SMN2HPGD
SCHEMBL10262086 0.75 CDK5 (0.42) KDM4EGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL25837396 0.75 PTPN1 (0.49)
SCHEMBL10263140 0.74 PTPN1 (0.40) KDM4EGAASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL16301325 0.74 DGAT1 (0.42) KDM4EHSD17B10MEN1KMT2AALDH1A1

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
WO-2023136213-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2023-07-20 WO disclosed