SCHEMBL9765653

SCHEMBL9765653

C=CCc1cc(COC)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.46
ALDH1A1 P00352 6/20 0.39
TSHR P16473 3/20 0.39
HIF1A Q16665 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
CYP3A4 P08684 3/20 0.39
MAPK1 P28482 3/20 0.39
MAPT P10636 3/20 0.39
CYP1A2 P05177 2/20 0.39
BLM P54132 2/20 0.39
ATM Q13315 2/20 0.39
USP2 O75604 1/20 0.39
CYP2D6 P10635 1/20 0.39
GAA P10253 3/20 0.38
LMNA P02545 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP2C9 P11712 2/20 0.37

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
SCHEMBL1598616 0.86 HSPA5 (0.53) HSPA5ALDH1A1TSHRHIF1AMEN1
SCHEMBL944103 0.86 KDM4E (0.42) ALDH1A1MEN1KMT2ACYP3A4MAPT
SCHEMBL4259056 0.86 HSPA5 (0.44) HSPA5ALDH1A1TSHRHIF1AMEN1
SCHEMBL14000559 0.83 HSPA5 (0.67) HSPA5ALDH1A1TSHRHIF1AMEN1
SCHEMBL12620565 0.81 HSPA5 (0.60) HSPA5ALDH1A1TSHRHIF1AMEN1
SCHEMBL38917 0.81 CA2 (0.55) HSPA5ALDH1A1TSHRHIF1AMEN1
SCHEMBL4219860 0.79 CA2 (0.61) HSPA5ALDH1A1TSHRHIF1AMEN1
SCHEMBL463139 0.78 HSPA5 (0.65) HSPA5ALDH1A1TSHRHIF1AMEN1
SCHEMBL8756510 0.78 HSPA5 (0.49) HSPA5ALDH1A1TSHRHIF1AMEN1
SCHEMBL12443045 0.78 HSPA5 (0.47) HSPA5ALDH1A1TSHRHIF1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5075367-A Low melting ETHYL CORPORATION (US) 1991-12-24 US disclosed