SCHEMBL2311706

SCHEMBL2311706

OCCc1cccc2c1ccc1c(CCO)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
PARP1 P09874 1/20 0.37
MTNR1A P48039 2/20 0.35
APOBEC3G Q9HC16 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
HTR2C P28335 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
ACP3 P15309 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GABRA1 P14867 1/20 0.32

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
SCHEMBL2313375 1.00 TDP1 (0.39) TDP1PARP1MTNR1AAPOBEC3GALDH1A1
SCHEMBL11315591 0.95 TDP1 (0.42) TDP1PARP1MTNR1AAPOBEC3GALDH1A1
SCHEMBL2313242 0.89 TDP1 (0.41) TDP1PARP1MTNR1AAPOBEC3GALDH1A1
SCHEMBL2312666 0.88 HPRT1 (0.54) TDP1MTNR1AALDH1A1TSHRACP3
SCHEMBL2312926 0.88 HPRT1 (0.54) TDP1MTNR1AALDH1A1TSHRACP3
SCHEMBL2316522 0.87 TDP1 (0.43) TDP1PARP1MTNR1AAPOBEC3GALDH1A1
SCHEMBL2311141 0.84 CYP1A2 (0.47) TDP1MTNR1AALDH1A1TSHRCCNE2
SCHEMBL12235264 0.84 TDP1 (0.48) TDP1APOBEC3GALDH1A1TSHRHTT
SCHEMBL3588877 0.84 IDO1 (0.44) TDP1PARP1ALDH1A1TSHRCDK2
SCHEMBL16415013 0.82 TAAR1 (0.38) TDP1PARP1GABRA1GABRB2

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