SCHEMBL18174599

SCHEMBL18174599

Cc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc(C)n5)cc4)c4cc(-c5ccc6ccccc6c5)ccc34)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
TGFBR1 P36897 4/20 0.38
CYP2A6 P11509 1/20 0.38
CTRC Q99895 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
IKBKB O14920 1/20 0.37
RAC1 P63000 2/20 0.36
ACP1 P24666 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL15977546 0.96 CCR1 (0.40) CCR1CCR8TGFBR1CYP2A6CTRC
SCHEMBL15977569 0.93 CCR1 (0.42) CCR1CCR8TGFBR1CYP2A6CTRC
SCHEMBL10032663 0.93 CCR1 (0.44) CCR1CCR8TGFBR1CYP2A6CTRC
SCHEMBL10032484 0.89 CYP2A6 (0.41) CCR1CCR8TGFBR1CYP2A6CTRC
SCHEMBL11954072 0.89 CCR1 (0.43) CCR1CCR8TGFBR1CYP2A6HSD17B1
SCHEMBL18174578 0.89 CCR1 (0.43) CCR1CCR8TGFBR1CYP2A6ACP1
SCHEMBL15977773 0.89 CCR1 (0.43) CCR1CCR8TGFBR1CYP2A6ACP1
SCHEMBL18174616 0.89 CCR1 (0.43) CCR1CCR8TGFBR1CYP2A6ACP1
SCHEMBL10032750 0.88 CYP2A6 (0.40) CCR1CCR8TGFBR1CYP2A6CTRC
SCHEMBL10032678 0.87 CYP2A6 (0.42) CCR1CCR8TGFBR1CYP2A6HSD17B1

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-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed