SCHEMBL17699375

SCHEMBL17699375

CC(C)Cc1ccc(C(=O)O)cc1.CC(C)Cc1ccc(C(=O)O)cc1.CCCC(O)CC(O)CCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
RARB P10826 4/20 0.45
PTGS1 P23219 3/20 0.45
PTGS2 P35354 3/20 0.45
LMNA P02545 2/20 0.45
CYP2C9 P11712 2/20 0.45
AKR1C3 P42330 2/20 0.45
CXCR1 P25024 2/20 0.45
CXCR2 P25025 2/20 0.45
ADRB3 P13945 2/20 0.45
ALB P02768 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX5 P09917 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR2A P28223 1/20 0.45
NR1I3 Q14994 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
CXCL8 P10145 1/20 0.45
TSHR P16473 1/20 0.45
AKR1C2 P52895 1/20 0.45

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
SCHEMBL17699424 0.89 ALDH1A1 (0.52) ALDH1A1RARBPTGS1PTGS2LMNA
SCHEMBL17699458 0.86 ALDH1A1 (0.67) ALDH1A1RARBPTGER4PTGER2
SCHEMBL17699326 0.85 ALDH1A1 (0.47) ALDH1A1RARBPTGS1PTGS2LMNA
SCHEMBL17699422 0.84 RARB (0.53) ALDH1A1RARBPTGER4PTGER2
SCHEMBL452233 0.83 PTGS1 (0.60) ALDH1A1RARBPTGS1PTGS2LMNA
SCHEMBL27959311 0.83 PTGS1 (0.60) ALDH1A1RARBPTGS1PTGS2LMNA
SCHEMBL17699440 0.83 ALDH1A1 (0.49) ALDH1A1RARBPTGS1PTGS2LMNA
SCHEMBL17699335 0.82 ALDH1A1 (0.45) ALDH1A1RARBPTGS1PTGS2LMNA
SCHEMBL569710 0.82 PTGS1 (0.51) ALDH1A1RARBPTGS1PTGS2LMNA
SCHEMBL17699360 0.82 RARB (0.67) ALDH1A1RARBNFKB1PTGER4PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751960-B2 Catalyst component for olefin polymerization, catalyst, and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2017-09-05 US claimed
US-20160115257-A1 Catalyst component for olefin polymerization, catalyst, and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2016-04-28 US claimed
US-9751960-B2 Catalyst component for olefin polymerization, catalyst, and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2017-09-05 US disclosed
US-20160115257-A1 Catalyst component for olefin polymerization, catalyst, and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2016-04-28 US disclosed