SCHEMBL15468255

SCHEMBL15468255

CCC(C)(C)/C=C(/C)c1cccc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PARP1 P09874 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ CYP2C19 P33261 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KCNK3 O14649 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ KCNK9 Q9NPC2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ GPR52 Q9Y2T5 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35

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
SCHEMBL11849384 0.82 PARP1 (0.46) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL11849390 0.82 PARP1 (0.46) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL20161973 0.74 PARP1 (0.48) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL11787753 0.74 PARP1 (0.52) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL11787750 0.74 PARP1 (0.52) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL23252520 0.71 PARP1 (0.48) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL23432832 0.70 HPGD (0.50) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL24223422 0.70 HPGD (0.42) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL25599133 0.69 PARP1 (0.47) HPGDTDP1PARP1HDAC8HDAC6
SCHEMBL16960884 0.69 HPGD (0.52) HPGDTDP1PARP1HDAC8HDAC6

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
US-8647164-B2 Organic electroluminescent element, production method of the same, display device, and lighting device KONICA MINOLTA HOLDINGS, INC. (JP) 2014-02-11 — — US disclosed
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