SCHEMBL3869438

SCHEMBL3869438

CC(C)C(C)c1ccc(C[C]=O)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.32
PTGS2 P35354 4/20 0.32
LMNA P02545 2/20 0.32
CYP2C9 P11712 2/20 0.32
AKR1C3 P42330 2/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
ESR1 P03372 2/20 0.32
ALB P02768 1/20 0.32
ALOX5 P09917 1/20 0.32
RARB P10826 1/20 0.32
ADRB3 P13945 1/20 0.32
NFKB1 P19838 1/20 0.32
HTR2A P28223 1/20 0.32
NR1I3 Q14994 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
CXCL8 P10145 1/20 0.32
TSHR P16473 1/20 0.32
AKR1C2 P52895 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL8943574 0.83 IDO1 (0.47) IDO1TYRPYCR1
SCHEMBL11221907 0.79 ADRB2 (0.45) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL17497706 0.79 TSHR (0.36) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL11139354 0.76 CYP3A4 (0.42) CYP2C9ESR1TSHRESR2
SCHEMBL8023647 0.76 PGK1 (0.36) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL2702724 0.74 PTGS1 (0.47) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL6810356 0.72 ESR1 (0.32) PTGS2AKR1C3ESR1AKR1C2ESR2
SCHEMBL24507350 0.71 FAAH (0.36) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL98942 0.70 CYP2A6 (0.48) IDO1PYCR1
SCHEMBL910708 0.70 TAAR1 (0.48) LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420187-B2 Cellulose acylate composition, cellulose acylate film, and its applications FUJIFILM CORPORATION (JP) 2013-04-16 US disclosed
US-20090082557-A1 CELLULOSE ACYLATE FILM AND ITS APPLICATIONS FUJIFILM CORPORATION (JP) 2009-03-26 US disclosed
US-20090002605-A1 CELLULOSE ACYLATE COMPOSITION, CELLULOSE ACYLATE FILM, AND ITS APPLICATIONS FUJIFILM CORPORATION (JP) 2009-01-01 US disclosed
US-4546106-A ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1985-10-08 US disclosed
US-4355034-A Ethenyl derivatives of mercaptoalkylpyridines as anti-inflammatory agents MERCK & CO., INC. (US) 1982-10-19 US disclosed
US-4217352-A ANTIARTHRITIC AGENT MERCK & CO., INC. (US) 1980-08-12 US disclosed
US-4212976-A ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1980-07-15 US disclosed
US-4144342-A ANTIARTHRITIC AND ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1979-03-13 US disclosed
US-4061759-A ANTIINFLAMMATORY, ARTHRITIS MERCK & CO., INC. (US) 1977-12-06 US disclosed
US-4057637-A RHEUMATOID ARTHRITIS MERCK & CO., INC. (US) 1977-11-08 US disclosed
US-3971797-A ANTIARTHRITIC MERCK & CO., INC. (US) 1976-07-27 US disclosed