SCHEMBL1339833

SCHEMBL1339833

CCCCCCCCCCCCCCCCCCCCCCc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.53
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
HSD11B1 P28845 4/20 0.47
CETP P11597 1/20 0.46
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AVPR1A P37288 1/20 0.43
OPRM1 P35372 1/20 0.41
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL20198637 0.83 HSD11B1 (0.55) HSD11B1CETPHPGDSMN1; SMN2AVPR1A
SCHEMBL14975277 0.82 HSD11B1 (0.60) OPRD1RXRARXRBRXRGHSD11B1
SCHEMBL24594596 0.81 OPRD1 (0.54) OPRD1RXRARXRBRXRGHSD11B1
SCHEMBL44434 0.80 RXRA (0.60) OPRD1RXRARXRBRXRGHPGD
SCHEMBL6297034 0.80 RXRA (0.60) OPRD1RXRARXRBRXRGHPGD
SCHEMBL1339832 0.79 RXRA (0.46) OPRD1RXRARXRBRXRGHSD11B1
SCHEMBL15746017 0.78 AVPR1A (0.62) OPRD1RXRARXRBRXRGHPGD
SCHEMBL7807503 0.78 AVPR1A (0.62) OPRD1RXRARXRBRXRGHPGD
SCHEMBL20749572 0.78 AVPR1A (0.51) OPRD1RXRARXRBRXRGHPGD
SCHEMBL22947307 0.77 AVPR1A (0.65) OPRD1RXRARXRBRXRGHPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2381500-B1 MATERIAL FOR PHOTOVOLTAIC ELEMENT, AND PHOTOVOLTAIC ELEMENT TORAY INDUSTRIES (JP) 2017-03-29 EP disclosed
US-20150194607-A1 PHOTOVOLTAIC ELEMENT TORAY INDUSTRIES, INC. (JP) 2015-07-09 US disclosed
EP-2866274-A1 PHOTOVOLTAIC ELEMENT Toray Industries, Inc. (JP) 2015-04-29 EP disclosed
US-8501901-B2 Material for photovoltaic device, and photovoltaic device TORAY INDUSTRIES, INC. (JP) 2013-08-06 US disclosed
US-20110272030-A1 MATERIAL FOR PHOTOVOLTAIC DEVICE, AND PHOTOVOLTAIC DEVICE TORAY INDUSTRIES, INC. (JP) 2011-11-10 US disclosed
EP-2381500-A1 MATERIAL FOR PHOTOVOLTAIC ELEMENT, AND PHOTOVOLTAIC ELEMENT Toray Industries, Inc. (JP) 2011-10-26 EP disclosed