SCHEMBL13669682

SCHEMBL13669682

CC(C)Cc1ccc(OC(F)=C(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.47
PTGS1 P23219 4/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 2/20 0.41
AKR1C3 P42330 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
ALB P02768 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX5 P09917 1/20 0.41
RARB P10826 1/20 0.41
ADRB3 P13945 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41
NR1I3 Q14994 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
CXCL8 P10145 1/20 0.41
TSHR P16473 1/20 0.41
AKR1C2 P52895 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL7633715 0.80 PTGS2 (0.36) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL9006509 0.79 RAB9A (0.45) LMNA
SCHEMBL5650004 0.78 RAB9A (0.35)
SCHEMBL8640443 0.77 ESR1 (0.45) ESR1SLC6A4
SCHEMBL4530562 0.77 RAB9A (0.35) LMNAESR1
SCHEMBL237613 0.77 PTGS2 (0.56) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL4711303 0.76 LTA4H (0.47) TSHR
SCHEMBL159833 0.76 PTGS2 (0.55) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL12903696 0.76 THRB (0.54) LMNANFKB1
SCHEMBL21517639 0.76 PTGS2 (0.55) PTGS2PTGS1LMNACYP2C9AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210115279-A1 ADDITIVE MANUFACTURING OF AROMATIC THERMOPLASTICS FROM PHOTOCURABLE PRECURSOR SALTS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2021-04-22 US disclosed
US-7601849-B1 Nonlinear optical compounds and related macrostructures UNIVERSITY OF WASHINGTON (US) 2009-10-13 US disclosed
US-7425643-B1 Electron acceptors for nonlinear optical chromophores UNIVERSITY OF WASHINGTON (US) 2008-09-16 US disclosed