SCHEMBL14581970

SCHEMBL14581970

COCCCc1cc(Cc2cc(CCCOC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 2/20 0.59
▸ HIF1A Q16665 4/20 0.49
▸ CYP2C9 P11712 3/20 0.49
▸ CYP2C19 P33261 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CYP2D6 P10635 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GAA P10253 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ BLM P54132 2/20 0.38
▸ ATM Q13315 2/20 0.38

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
SCHEMBL14219924 0.83 HSPA5 (0.54) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL1576633 0.83 HSPA5 (0.70) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL14002951 0.83 HSPA5 (0.65) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL14002963 0.81 HSPA5 (0.63) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL14003021 0.81 HSPA5 (0.55) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL14000559 0.81 HSPA5 (0.67) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL3812694 0.80 HSPA5 (0.66) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL8509844 0.80 HSPA5 (0.66) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL3694426 0.80 HSPA5 (0.66) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL3687864 0.80 HSPA5 (0.66) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037103-A1 BISPHENOL COMPOUND AND PHOTOTHERMOGRAPHIC MATERIAL KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-02-15 — — US disclosed
US-20070037103-A1 BISPHENOL COMPOUND AND PHOTOTHERMOGRAPHIC MATERIAL KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-02-15 — — US disclosed
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