SCHEMBL12943147

SCHEMBL12943147

CCC(C)(CC)c1ccc(C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ LMNA P02545 2/20 0.59
▸ SRD5A2 P31213 3/20 0.52
▸ RAB9A P51151 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41

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
SCHEMBL12943145 0.95 ALDH1A1 (0.53) ALDH1A1LMNASRD5A2RAB9ANPC1
SCHEMBL22459300 0.85 SRD5A2 (0.47) ALDH1A1LMNASRD5A2RAB9ANPC1
SCHEMBL17472307 0.85 ALDH1A1 (0.59) ALDH1A1LMNASRD5A2RAB9ANPC1
SCHEMBL19981757 0.84 TSHR (0.55) ALDH1A1RAB9ANPC1MAPTHPGD
SCHEMBL19339482 0.82 ELANE (0.49) SRD5A2RAB9ANPC1MAPTHTT
SCHEMBL13703526 0.81 LMNA (0.55) ALDH1A1LMNARAB9ANPC1MAPT
SCHEMBL10445017 0.80 SRD5A2 (0.70) ALDH1A1LMNASRD5A2RAB9ANPC1
SCHEMBL14350839 0.80 SRD5A2 (0.42) ALDH1A1LMNASRD5A2RAB9ANPC1
SCHEMBL1261173 0.79 MEN1 (0.59) ALDH1A1SRD5A2SMN1; SMN2ESR1ESR2
SCHEMBL23278537 0.78 SRD5A2 (0.41) ALDH1A1LMNASRD5A2RAB9ANPC1

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-2162489-B1 THERMOPLASTIC MOLDING MATERIALS COMPRISING ORGANIC BLACK PIGMENTS BASF SE (DE) 2011-01-12 — — EP disclosed
WO-2011000913-A2 BOROPHOSPHATE, BORATE PHOSPHATE, AND METAL BOROPHOSPHATE AS NOVEL FLAME PROOFING ADDITIVES FOR PLASTICS BASF SE (DE) 2011-01-06 — — WO disclosed
WO-2010097432-A1 SELF-CLEANING POLYMERS BASF SE (DE) 2010-09-02 — — WO disclosed
WO-2009000830-A1 THERMOPLASTIC MOLDING MATERIALS COMPRISING ORGANIC BLACK PIGMENTS BASF SE (DE) 2008-12-31 — — WO disclosed
WO-2008043683-A1 MOLDING MATERIALS COMPRISING HIGHLY CROSSLINKED ORGANIC NANOPARTICLES BASF SE (DE) 2008-04-17 — — WO disclosed
WO-2007042455-A1 PROCESS FOR PRODUCING COLORED MOLDING COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2007-04-19 — — WO disclosed
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