SCHEMBL25876387

SCHEMBL25876387

Cc1ccc(-c2c(C(O)(CCC(F)(F)F)CCC(F)(F)F)cc(OCc3ccccc3)c3cc(C)ccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.35
CCNB1 P14635 3/20 0.35
GSK3B P49841 2/20 0.35
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
MRGPRX4 Q96LA9 3/20 0.35
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
AR P10275 1/20 0.34
ALOX5AP P20292 1/20 0.34
DHODH Q02127 2/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
MGAM O43451 1/20 0.33

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
SCHEMBL25876413 0.78 ALDH1A1 (0.30) MAPTALDH1A1SMN1; SMN2
SCHEMBL25837150 0.78 MAPT (0.43) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL25837151 0.76 MAPT (0.41) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL17736806 0.73 MAPT (0.43) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL17736807 0.72 MAPT (0.42) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL25837260 0.72 CDK5 (0.40) CDK1CCNB1GSK3BCDK5CDK5R1
SCHEMBL17736805 0.71 MCL1 (0.47) MRGPRX4PTGER1PTGER4PTGER3PTGER2
SCHEMBL22163293 0.68 MAPT (0.53) GAAMAPTALDH1A1KMT2A
SCHEMBL25837162 0.67 MAPT (0.39) MRGPRX4PTGER1PTGER4PTGER3PTGER2
SCHEMBL14453588 0.66 MRGPRX4 (0.50) MRGPRX4PTGER1PTGER4PTGER3PTGER2

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-2023140186-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2023-07-27 WO disclosed