SCHEMBL25837383

SCHEMBL25837383

COc1cc2c(OCc3ccccc3)cc(C(=O)O)c(-c3ccc(Br)cc3)c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.48
CTSL P07711 4/20 0.48
ABCB1 P08183 1/20 0.46
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FOLH1 Q04609 1/20 0.44
MCL1 Q07820 2/20 0.44
SRD5A1 P18405 2/20 0.44
SRD5A2 P31213 2/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LRRK2 Q5S007 1/20 0.44
RXRA P19793 1/20 0.43

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 0.89 CTSV (0.46) CTSVCTSLABCB1FOLH1MCL1
SCHEMBL25876699 0.88 LRRK2 (0.48) FOLH1MCL1MRGPRX4HDAC8LRRK2
SCHEMBL22148986 0.86 PTPN1 (0.48) CTSVCTSLNPC1HPGDRAB9A
SCHEMBL25837396 0.85 PTPN1 (0.49) CTSVCTSLMRGPRX4RXRA
SCHEMBL15763615 0.83 MGAM (0.44) CTSVCTSLMCL1MRGPRX4
SCHEMBL18827163 0.80 GSK3B (0.51) CTSVCTSLNPC1RAB9ASMN1; SMN2
SCHEMBL25837233 0.78 CTSV (0.46) CTSVCTSLNPC1HPGDRAB9A
SCHEMBL25837371 0.78 LCK (0.45) NPC1HPGDRAB9ASMN1; SMN2MCL1
SCHEMBL15763605 0.78 FOLH1 (0.51) FOLH1MCL1MRGPRX4RXRA
SCHEMBL22149137 0.78 PTPN1 (0.46) CTSVCTSLMRGPRX4LRRK2RXRA

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