SCHEMBL2777970

SCHEMBL2777970

CC(C)(C)c1cc(O)c(C(C)(C)C)cc1O.CCc1cc(Cc2cc(CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.87
HIF1A Q16665 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
CYP2C9 P11712 4/20 0.53
CYP2C19 P33261 4/20 0.53
ALDH1A1 P00352 9/20 0.50
MAPT P10636 5/20 0.50
KDM4E B2RXH2 5/20 0.50
ALOX15 P16050 4/20 0.50
CYP1A2 P05177 3/20 0.50
ATP2A2 P16615 1/20 0.50
ATP2A3 Q93084 1/20 0.50
CYP2D6 P10635 3/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 3/20 0.42
TSHR P16473 3/20 0.42
GAA P10253 1/20 0.42
CYP3A4 P08684 3/20 0.41
MAPK1 P28482 3/20 0.41
TP53 P04637 3/20 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
SCHEMBL27533 0.93 HSPA5 (1.00) HSPA5HIF1ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL30599778 0.93 HSPA5 (1.00) HSPA5HIF1ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL8077351 0.92 HSPA5 (0.79) HSPA5HIF1ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL9475586 0.91 HSPA5 (0.96) HSPA5HIF1ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL16281206 0.86 HSPA5 (0.79) HSPA5HIF1ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL8070387 0.85 HSPA5 (0.84) HSPA5HIF1ASMN1; SMN2CYP2C9CYP2C19
Phosphoric Acid SCHEMBL28676743 0.85 HSPA5 (0.84) HSPA5HIF1ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL14606508 0.85 HSPA5 (0.84) HSPA5HIF1ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL12626209 0.85 HSPA5 (0.84) HSPA5HIF1ASMN1; SMN2CYP2C9CYP2C19
Butylated Hydroxytoluene SCHEMBL9225860 0.85 HSPA5 (0.84) HSPA5HIF1ASMN1; SMN2CYP2C9CYP2C19

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-8711301-B2 Cellulose acylate laminate film, method for producing cellulose acylate laminate film, polarizer and liquid crystal display device FUJIFILM CORPORATION (JP) 2014-04-29 US disclosed
US-20130108807-A1 TWISTED-ALIGNMENT-MODE LIQUID CRYSTAL DISPLAY FUJIFILM CORPORATION (JP) 2013-05-02 US disclosed
US-20100271574-A1 CELLULOSE ACYLATE LAMINATE FILM, METHOD FOR PRODUCING CELLULOSE ACYLATE LAMINATE FILM, POLARIZER AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2010-10-28 US disclosed