SCHEMBL25837260

SCHEMBL25837260

COCCC(O)(CCOC)c1cc(OCc2ccccc2)c2cc(OC)c(OC)cc2c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.40
CDK5R1 Q15078 3/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
APP P05067 3/20 0.40
MGAM O43451 2/20 0.39
GAA P10253 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSV O60911 2/20 0.39
CTSL P07711 2/20 0.39
ELANE P08246 1/20 0.39
SMPD1 P17405 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL25837218 0.76 CTSV (0.46) CDK5CDK5R1CDK1CCNB1MGAM
SCHEMBL25837233 0.75 CTSV (0.46) CDK5CDK5R1CDK1CCNB1APP
SCHEMBL25876387 0.72 CDK1 (0.35) CDK5CDK5R1CDK1CCNB1MGAM
SCHEMBL22163295 0.69 SMN1; SMN2 (0.50) GAAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL22149016 0.69 PTPN1 (0.43) CDK5CDK5R1CDK1CCNB1MGAM
SCHEMBL14112764 0.69 ALOX5AP (0.49) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL25837469 0.68 CTSV (0.46) MGAMGAASIMGAM2CTSV
SCHEMBL25837383 0.68 CTSV (0.48) HPGDNPC1RAB9ASMN1; SMN2CTSV
SCHEMBL25837411 0.68 PTPN1 (0.45) CDK5CDK5R1CDK1CCNB1MGAM
SCHEMBL22148986 0.68 PTPN1 (0.48) HPGDNPC1RAB9ASMN1; SMN2CTSV

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