SCHEMBL4402334

SCHEMBL4402334

Cc1ccc(C(=O)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(C(=O)c4ccc(C)cc4)cc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 10/20 0.54
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SRD5A2 P31213 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ AKR1C3 P42330 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL12336798 0.95 PDK2 (0.52) PDK2ALDH1A1LMNASRD5A2CNR2
SCHEMBL4402239 0.95 PDK2 (0.52) PDK2ALDH1A1LMNASRD5A2CNR2
SCHEMBL20198327 0.95 PDK2 (0.52) PDK2ALDH1A1LMNASRD5A2CNR2
SCHEMBL4402296 0.95 PDK2 (0.52) PDK2ALDH1A1LMNASRD5A2CNR2
SCHEMBL4401091 0.94 PDK2 (0.50) PDK2ALDH1A1LMNACNR2
SCHEMBL12336905 0.94 PDK2 (0.50) PDK2ALDH1A1LMNACNR2
SCHEMBL4401186 0.94 PDK2 (0.50) PDK2ALDH1A1LMNACNR2
SCHEMBL4401188 0.94 PDK2 (0.50) PDK2ALDH1A1LMNACNR2
SCHEMBL17928299 0.93 PDK2 (0.57) PDK2ALDH1A1LMNASRD5A2CNR2
SCHEMBL12337045 0.92 PDK2 (0.60) PDK2ALDH1A1SRD5A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 — — US disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 — — US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 — — US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 — — US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 — — US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 — — US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 — — US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 — — US disclosed
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