SCHEMBL9008133

SCHEMBL9008133

CCCCC(CC)COP(O)Oc1ccccc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
CYP3A4 P08684 3/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 3/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
MAPK1 P28482 3/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 4/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 2/20 0.33
RBP4 P02753 1/20 0.33
GAA P10253 1/20 0.33
XBP1 P17861 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
SCHEMBL28910129 0.90 ALDH1A1 (0.38) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL3112023 0.85 ALDH1A1 (0.36) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL27945903 0.81 ALDH1A1 (0.34) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL9382266 0.80 THRA (0.45) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL11042199 0.80 THRA (0.45) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL6685858 0.79 ALDH1A1 (0.49) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL5672034 0.78 ALDH1A1 (0.45) ALDH1A1CYP3A4LMNAMAPK1MAPT
SCHEMBL21694097 0.78 ALDH1A1 (0.45) ALDH1A1CYP3A4LMNAMAPK1MAPT
SCHEMBL9008141 0.78 LMNA (0.39) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL10943807 0.74 PTGS2 (0.40) ALDH1A1CYP3A4CA2LMNAPRSS1

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
WO-2023080476-A1 FLAME RETARDANT COMPOSITION AND FLAME RETARDANT SYNTHETIC RESIN COMPOSITION CONTAINING METAL PHOSPHINATE-BASED FLAME RETARDANT 이정훈 2023-05-11 WO disclosed
EP-0331095-B1 Improving stability at moderate temperatures of motor vehicle components shaped from polyvinyl chloride resin compositions WITCO CORP (US) 1996-10-09 EP disclosed
US-4950704-A DIKETONE AS HEAT STABILIZER ARGUS CHEMICAL CORPORATION (US) 1990-08-21 US disclosed
EP-0331095-A1 Improving stability at moderate temperatures of motor vehicle components shaped from polyvinyl chloride resin compositions WITCO CORPORATION (US) 1989-09-06 EP disclosed
US-4209431-A OXIDATION AND HEAT RESISTANCE WITCO CHEMICAL CORPORATION (US) 1980-06-24 US disclosed
US-4105627-A MERCAPTOHETEROCYCLIC RESIN STABILIZERS ARGUS CHEMICAL CORPORATION (US) 1978-08-08 US disclosed
US-4080364-A Stabilization of polyolefins against degradative deterioration as a result of exposure to light and air at elevated temperatures ARGUS CHEMICAL CORPORATION (US) 1978-03-21 US disclosed
US-3997551-A OXIDATION RESISTANCE, STABILIZE POLYMERS ARGUS CHEMICAL CORPORATION (US) 1976-12-14 US disclosed