SCHEMBL277802

SCHEMBL277802

CC1CCC(CCCC(=O)O)(C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.33
BBOX1 O75936 2/20 0.33
LMNA P02545 2/20 0.32
SLC22A6 Q4U2R8 2/20 0.32
CYP2C19 P33261 1/20 0.32
AKR1B1 P15121 1/20 0.31
TSHR P16473 4/20 0.31
NFKB1 P19838 1/20 0.31
PMP22 Q01453 1/20 0.31
UGT2B7 P16662 1/20 0.31
PPARG P37231 4/20 0.31
PPARD Q03181 4/20 0.31
PPARA Q07869 4/20 0.31
GPR84 Q9NQS5 3/20 0.31
HDAC11 Q96DB2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
TLR2 O60603 1/20 0.31

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
Ethylene Glycol SCHEMBL7148634 0.95 CYP1A2 (0.37) CYP1A2PTGS1BBOX1GPR84FFAR1
SCHEMBL15106900 0.90 CYP1A2 (0.35) CYP1A2LMNASLC22A6CYP2C19AKR1B1
SCHEMBL3764030 0.89 CYP1A2 (0.44) CYP1A2PTGS1BBOX1CYP2C19UGT2B7
SCHEMBL2159793 0.86 LMNA (0.37) CYP1A2LMNASLC22A6AKR1B1TSHR
Ethylene Glycol SCHEMBL4613517 0.85 CAMK2A (0.36) CYP1A2PTGS1LMNASLC22A6CYP2C19
SCHEMBL4539487 0.84 CYP1A2 (0.46) CYP1A2PTGS1LMNASLC22A6CYP2C19
SCHEMBL22098195 0.81 CYP4F2 (0.38) CYP1A2
SCHEMBL22139449 0.78 NPC1 (0.33) CYP1A2LMNAALDH1A1
SCHEMBL13464532 0.77 CYP1A2 (0.42) CYP1A2CYP2C19ALDH1A1
SCHEMBL249726 0.76 CAMK2A (0.46) CYP1A2LMNASLC22A6CYP2C19AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0164523-B1 TIRES AND WHEELS FROM LOW HEAT BUILDUP POLYURETHANE COMPOSITIONS AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-09-04 EP claimed
EP-0164523-A1 Tires and wheels from low heat buildup polyurethane compositions AIR PRODUCTS AND CHEMICALS, INC. (US) 1985-12-18 EP claimed
US-4556703-A Low heat buildup polyurethane compositions and articles AMERICAN CYANAMID COMPANY (US) 1985-12-03 US claimed
US-4158378-A POLYCAPROLACTONE, POLYUREAS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1979-06-19 US claimed
US-8135328-B2 Cleaning blade CANON KASEI KABUSHIKI KAISHA (JP) 2012-03-13 US disclosed
US-20080260440-A1 CLEANING BLADE CANON KASEI KABUSHIKI KAISHA (JP) 2008-10-23 US disclosed
EP-0154180-B1 CATALYST SYSTEMS FOR POLYURETHANE COMPOSITIONS AMERICAN CYANAMID COMPANY (US) 1993-04-14 EP disclosed
EP-0164523-B1 TIRES AND WHEELS FROM LOW HEAT BUILDUP POLYURETHANE COMPOSITIONS AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-09-04 EP disclosed
EP-0111681-B1 USE OF CERTAIN CATALYST COMPOSITIONS FOR THE PREPARATION OF POLYURETHANES AMERICAN CYANAMID COMPANY (US) 1988-09-28 EP disclosed
US-4598103-A 1,8-DIAZABICYCLO-5.4.0)ON DEC-7-ENE OR A SALT THEREOF; ORGANIC TIN COMPOUND; ORGANIC LEAD COMPOUND AMERICAN CYANAMID COMPANY (US) 1986-07-01 US disclosed
EP-0164523-A1 Tires and wheels from low heat buildup polyurethane compositions AIR PRODUCTS AND CHEMICALS, INC. (US) 1985-12-18 EP disclosed
US-4556703-A Low heat buildup polyurethane compositions and articles AMERICAN CYANAMID COMPANY (US) 1985-12-03 US disclosed
US-4547478-A 1,8-DIAZABICYCLO(5.4.0) UNDECENE-7, ORGANOTIN, AND ORGANOLEAD COMPOUND AMERICAN CYANAMID COMPANY (US) 1985-10-15 US disclosed
EP-0154180-A2 Catalyst systems for polyurethane compositions AMERICAN CYANAMID COMPANY (US) 1985-09-11 EP disclosed
EP-0111681-A2 Use of certain catalyst compositions for the preparation of polyurethanes AMERICAN CYANAMID COMPANY (US) 1984-06-27 EP disclosed
US-4158378-A POLYCAPROLACTONE, POLYUREAS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1979-06-19 US disclosed
US-4127542-A SOLID ELASTOMER AMERICAN CYANAMID COMPANY (US) 1978-11-28 US disclosed