SCHEMBL2311064

SCHEMBL2311064

OCCc1cccc2c1[nH]c1cccc(CCO)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.42
CCND1 P24385 7/20 0.42
CCNE2 O96020 3/20 0.42
CCNE1 P24864 3/20 0.42
CDK2 P24941 3/20 0.42
AR P10275 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
DYRK1A Q13627 1/20 0.38
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36

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
SCHEMBL573589 0.84 KIF11 (0.50) ALDH1A1TSHRHTTKDM4EGABRP
SCHEMBL2311119 0.84 IMPDH2 (0.55) CDK4CCND1ALDH1A1TSHRHTT
SCHEMBL2309752 0.81 CCNE2 (0.44) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL2310525 0.81 IMPDH2 (0.39) ALDH1A1TSHRHTTBCHEACHE
SCHEMBL2310834 0.79 ALDH1A1 (0.47) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL2309770 0.74 AR (0.41) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL2310171 0.74 BCHE (0.38) CDK4CCND1ALDH1A1TSHRHTT
SCHEMBL2311073 0.74 MAOA (0.43) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL2315719 0.74 MAPT (0.44) ALDH1A1TSHRHTTBCHEACHE
SCHEMBL28657502 0.72 KDM4E (0.59) ALDH1A1TSHRHTTKDM4EGABRP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989517-B2 Actinic ray curable composition, actinic ray curable ink, and image formation process employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-08-02 US disclosed
US-20070123600-A1 ACTINIC RAY CURABLE COMPOSITION, ACTINIC RAY CURABLE INK, AND IMAGE FORMATION PROCESS EMPLOYING THE SAME KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-05-31 US disclosed