SCHEMBL4633834

SCHEMBL4633834

Cc1cc(CCC(C)C)cc(C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.50
PTGS2 P35354 4/20 0.50
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
SHBG P04278 1/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
ALOX5 P09917 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HMGB1 P09429 1/20 0.37
CXCL12 P48061 1/20 0.37
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL27798205 0.88 PTGS2 (0.47) PTGS1PTGS2CA1CA2SHBG
SCHEMBL27928023 0.85 PTGS1 (0.48) PTGS1PTGS2CA1CA2SHBG
SCHEMBL38655021 0.84 FUT7 (0.45) PTGS1PTGS2CA1CA2SHBG
SCHEMBL9248029 0.82 HMGB1 (0.65) PTGS1PTGS2ALOX5NFKB1NFKB2
SCHEMBL10834423 0.82 PTGS1 (0.46) PTGS1PTGS2CA1CA2SHBG
SCHEMBL6671173 0.82 PTGS1 (0.46) PTGS1PTGS2CA1CA2SHBG
SCHEMBL3801816 0.81 PTGS1 (0.68) PTGS1PTGS2CA1CA2SHBG
SCHEMBL6346640 0.80 ADRB2 (0.41) PTGS2CA1CA2ESR1ALOX5
SCHEMBL9702273 0.79 PTGS1 (0.47) PTGS1PTGS2CA1CA2SHBG
SCHEMBL8370720 0.79 PTGS1 (0.47) PTGS1PTGS2CA1CA2SHBG

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 345 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117500859-A Oligoesters comprising resorcinol and isophthalic acid and/or terephthalic acid, corresponding polyester carbonates and their preparation 科思创德国股份有限公司 2024-02-02 CN claimed
CN-114599706-A Method for producing polyester carbonates 科思创知识产权两合公司 2022-06-07 CN claimed
CN-102010505-B Method for producing polycarbonate BAYER MATERIALSCIENCE AG 2014-07-16 CN claimed
CN-114761476-B Method for producing molding materials with improved surface properties 科思创德国股份有限公司 2024-06-11 CN disclosed
CN-114746495-B Method for producing masterbatches and moulding compounds with improved properties 科思创德国股份有限公司 2024-06-11 CN disclosed
CN-118139908-A Mannich bases with a high renewable carbon content SIKA技术股份公司 2024-06-04 CN disclosed
CN-114650915-B Layer structure with modified structure and production thereof 科思创德国股份有限公司 2024-05-31 CN disclosed
CN-118119659-A Flame-retardant epoxy resin composition SIKA技术股份公司 2024-05-31 CN disclosed
CN-118055905-A Method for producing phosgene 科思创德国股份有限公司 2024-05-17 CN disclosed
CN-118019775-A Bio-based amine curing agents for curable compositions SIKA技术股份公司 2024-05-10 CN disclosed
CN-114514402-B Three-piece headlamp assembly 科思创有限公司 2024-04-30 CN disclosed
CN-1265685-A Copolycarbonates with indan bisphenol base BAYER AG (DE) 2000-09-06 CN disclosed
CN-1265123-A Polycarbonate moulding compounds and their use as layers in coextruded sheets BAYER AG (DE) 2000-08-30 CN disclosed
CN-1261903-A Process for producing polycarbonate BAYER AG (DE) 2000-08-02 CN disclosed
CN-1165834-A Method for isolating partially crystalline polycarbonate powder BAYER AG (DE) 1997-11-26 CN disclosed
CN-1113497-A Use of aliphatic tertiary monocarboxylic acids as chain terminators for the production of polycarbonates and polyester carbonates BAYER AG (DE) 1995-12-20 CN disclosed
CN-1025567-C mixtures of special polycarbonates with other thermoplastics and elastomers, process for their preparation and their use BAYER AG (DE) 1994-08-03 CN disclosed
CN-1041606-A The mixture of special polycarbonates and other thermoplastics elastomer-formings BAYER AG (DE) 1990-04-25 CN disclosed
EP-0040863-A1 Flame-retardant polycarbonate polyblends Mobay Chemical Corporation (US) 1981-12-02 EP disclosed
EP-0001096-A2 Flame retardant polycarbonate blends Mobay Chemical Corporation (US) 1979-03-21 EP disclosed