SCHEMBL28014392

SCHEMBL28014392

CC(C)(C)c1cccc(C(C)(C)C)c1OP(O)Oc1cccc(-c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.35
RXRA P19793 3/20 0.35
RXRB P28702 3/20 0.35
IDO1 P14902 2/20 0.34
ALOX5 P09917 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CA2 P00918 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL28013665 0.88 NPC1 (0.35) RXRARXRBIDO1GABRA1GABRB2
SCHEMBL5437245 0.81 CA2 (0.48) GABRA1GABRB2CA2
SCHEMBL28013674 0.80 RXRA (0.38) RXRARXRBIDO1
SCHEMBL27757864 0.78 CA2 (0.34) RXRARXRBIDO1GABRA1GABRB2
Fluoromethane SCHEMBL9702099 0.78 CA2 (0.45) GABRA1GABRB2CA2
SCHEMBL2903584 0.76 KIF11 (0.33) RXRARXRBIDO1ALOX5GABRA1
SCHEMBL27737123 0.75 CA2 (0.36) RXRARXRBIDO1GABRA1GABRB2
SCHEMBL28439069 0.74 RXRA (0.35) RXRARXRBIDO1MEN1KMT2A
SCHEMBL28013668 0.73 RXRA (0.36) RXRARXRB
SCHEMBL20702317 0.72 ALOX5 (0.43) GGPS1RXRARXRBALOX5

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
CN-102639590-B Curable resin composition and cured product thereof NIPPON KAYAKU KK 2015-06-24 CN disclosed