SCHEMBL4564400

SCHEMBL4564400

C=CCc1ccccc1-c1[c]cccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
AKR1B1 P15121 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
MAP4K4 O95819 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33
MET P08581 1/20 0.33
PIM1 P11309 1/20 0.33
LTK P29376 1/20 0.33
KDR P35968 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
CDK8 P49336 1/20 0.33
CLK2 P49760 1/20 0.33
CDK9 P50750 1/20 0.33
CDK5 Q00535 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
SCHEMBL2141876 0.87 GABRA1 (0.45) GABRA1GABRB2AKR1B1KDM4EAURKA
SCHEMBL3281815 0.82
SCHEMBL811836 0.79
SCHEMBL8010806 0.79 HSPA5 (0.34)
SCHEMBL29900352 0.78 GABRA1 (0.61) GABRA1GABRB2AKR1B1KDM4EALDH1A1
SCHEMBL2362466 0.78 GABRA1 (0.61) GABRA1GABRB2AKR1B1KDM4EALDH1A1
SCHEMBL251882 0.77 GABRA1 (0.44) GABRA1GABRB2AKR1B1KDM4EALDH1A1
SCHEMBL6805441 0.77 GABRA1 (0.44) GABRA1GABRB2AKR1B1KDM4EALDH1A1
SCHEMBL3452372 0.76
SCHEMBL11380312 0.76 GABRA1 (0.43) GABRA1GABRB2AKR1B1KDM4EALDH1A1

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
CN-105238360-B Working fluid composition for refrigerator and refrigerator oil 吉坤日矿日石能源株式会社 2020-05-05 CN claimed
EP-2134781-A1 USE OF LOW TRIPHENYLPHOSPHATE, HIGH PHOSPHOROUS CONTENT ISOPROPYL PHENYL PHOSPHATES AS FLAME RETARDANTS IN POLYURETHANE OR POLYISOCYANURATE FOAMS Albemarle Corporation (US) 2009-12-23 EP claimed
WO-2008118699-A1 USE OF LOW TRIPHENYLPHOSPHATE, HIGH PHOSPHOROUS CONTENT ISOPROPYL PHENYL PHOSPHATES AS FLAME RETARDANTS IN POLYURETHANE OR POLYISOCYANURATE FOAMS ALBEMARLE CORPORATION (US) 2008-10-02 WO claimed
EP-0395313-B1 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PROD (US) 1999-12-15 EP claimed
US-5182273-A Antitumor, anticancer PIERRE FABRE MEDICAMENT (FR) 1993-01-26 US claimed
WO-2023109387-A1 COUPLING OF SULFYDRYL-CONTAINING PEPTIDE AND FLUOROPORPHYRIN AS BIOLOGICAL PROBE 化学与精细化工广东省实验室 2023-06-22 WO disclosed
WO-2020158205-A1 SULFUR-CONTAINING EXTREME-PRESSURE AGENT AND METAL WORKING OIL DIC株式会社 2020-08-06 WO disclosed
CN-105238360-B Working fluid composition for refrigerator and refrigerator oil 吉坤日矿日石能源株式会社 2020-05-05 CN disclosed