SCHEMBL9968100

SCHEMBL9968100

CC(C)c1nccc2c1c1c(C(C)C)nccc1n2C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.36
RXFP1 Q9HBX9 1/20 0.33
HASPIN Q8TF76 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
PTGDR Q13258 8/20 0.32
TBXA2R P21731 7/20 0.32
PTGER1 P34995 2/20 0.31
PTGER3 P43115 2/20 0.31
PTGER2 P43116 2/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
PTGER4 P35408 1/20 0.31
PTGFR P43088 1/20 0.31
GPR3 P46089 1/20 0.30

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
SCHEMBL9968070 0.86 UTS2R (0.50) UTS2RGPR3
SCHEMBL9968109 0.85 TOP2A (0.40) UTS2RADORA2A
SCHEMBL9972910 0.82 PIK3CD (0.41) RXFP1
SCHEMBL13977158 0.77 PTGDR (0.31) PTGDRTBXA2R
SCHEMBL16375258 0.75 RET (0.40)
SCHEMBL27010731 0.75 MAOA (0.33)
SCHEMBL31393605 0.74 BRD4 (0.36) RXFP1HASPINADORA2AADORA2BADORA1
SCHEMBL13968298 0.72 NFATC1 (0.33)
SCHEMBL19759415 0.72 KDM4E (0.50) HASPINADORA2AADORA1
SCHEMBL12946492 0.72 MAPT (0.39) RXFP1HASPIN

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-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed