SCHEMBL25837469

SCHEMBL25837469

COc1cc2c(OCc3ccccc3)cc(C(=O)O)c(-c3ccccc3)c2cc1Br

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.46
CTSL P07711 3/20 0.46
ABCB1 P08183 2/20 0.46
FOLH1 Q04609 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
SMPD1 P17405 2/20 0.44
MCL1 Q07820 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RXRA P19793 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42

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
SCHEMBL25837383 0.89 CTSV (0.48) CTSVCTSLABCB1FOLH1MRGPRX4
SCHEMBL15763615 0.85 MGAM (0.44) CTSVCTSLMRGPRX4MCL1MGAM
SCHEMBL18827163 0.82 GSK3B (0.51) CTSVCTSLMRGPRX4MCL1HDAC8
SCHEMBL22148986 0.82 PTPN1 (0.48) CTSVCTSLMRGPRX4MCL1RXRA
SCHEMBL25837396 0.81 PTPN1 (0.49) CTSVCTSLMRGPRX4RXRA
SCHEMBL15763605 0.81 FOLH1 (0.51) FOLH1MRGPRX4MCL1RXRA
SCHEMBL25837659 0.80 KDM4E (0.46) GAA
SCHEMBL15906493 0.80 MCL1 (0.41) CTSVCTSLMRGPRX4MCL1RXRA
SCHEMBL25876699 0.80 LRRK2 (0.48) FOLH1MRGPRX4MCL1HDAC8
SCHEMBL17736805 0.79 MCL1 (0.47) FOLH1MRGPRX4MCL1

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