SCHEMBL15040933

SCHEMBL15040933

Cc1ccccc1-c1cc(C)c(-c2ccc(C(=O)C(=S)c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5C)c(C)cc3-4)cc2C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 2/20 0.38
▸ AVPR1A P37288 2/20 0.38
▸ PLA2G7 Q13093 3/20 0.36
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ PDK2 Q15119 7/20 0.34
▸ RARB P10826 2/20 0.34
▸ RARG P13631 2/20 0.34
▸ RXRA P19793 1/20 0.34
▸ HTR7 P34969 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ RARA P10276 1/20 0.31
▸ PPM1G O15355 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ PTPN7 P35236 1/20 0.31
▸ PTPN5 P54829 1/20 0.31
▸ PTPRO Q16827 1/20 0.31
▸ PTPN22 Q9Y2R2 1/20 0.31

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
SCHEMBL18900059 0.99 PLA2G7 (0.37) AVPR2AVPR1APLA2G7CES2CES1
SCHEMBL15040935 0.89 AVPR2 (0.40) AVPR2AVPR1APLA2G7CES2CES1
SCHEMBL16271528 0.86 PDK2 (0.42) PDK2
SCHEMBL15041001 0.83 PDK2 (0.43) PDK2
SCHEMBL18900574 0.83 PDK2 (0.44) AVPR2AVPR1APLA2G7PDK2RARB
SCHEMBL18900042 0.78 MAPT (0.44) AVPR2AVPR1APDK2RARBRARG
SCHEMBL16360867 0.77 AVPR2 (0.40) AVPR2AVPR1APLA2G7CES2CES1
SCHEMBL16271513 0.76 PDK2 (0.47) CES2CES1PDK2
SCHEMBL16271527 0.75 PDK2 (0.43) PDK2
SCHEMBL16360870 0.75 CES2 (0.40) AVPR2AVPR1APLA2G7CES2CES1

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
WO-2013087162-A1 ORGANIC SENSITIZERS FOR UP-CONVERSION MERCK PATENT GMBH (DE) 2013-06-20 — — WO disclosed
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