SCHEMBL9870938

SCHEMBL9870938

O=CC(c1ccc(CO)cc1)(C1CCCCC1)C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.34
LDLR P01130 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CXCR4 P61073 2/20 0.33
EPHX2 P34913 1/20 0.33
CXCL12 P48061 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
RAB9A P51151 6/20 0.32
NPC1 O15118 4/20 0.32
ALDH1A1 P00352 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
KIF11 P52732 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL12490702 0.70 TRPM8 (0.35) HDAC1EPHX2ALDH1A1HDAC8KIF11
Cyclohexanol SCHEMBL10392947 0.68 EPHX2 (0.46) EPHX2RAB9ANPC1ALDH1A1HPGD
SCHEMBL16499616 0.66 DAO (0.45) LDLREPHX2
SCHEMBL12490205 0.66 KIF11 (0.36) EPHX2KIF11DDB1CRBN
SCHEMBL1692149 0.65 HAO1 (0.46) HDAC1HDAC6HRH3ALDH1A1HDAC8
SCHEMBL15102171 0.65 LCK (0.41) HRH3RAB9ANPC1ALDH1A1SMN1; SMN2
Formic Acid SCHEMBL11392898 0.64 TSHR (0.50) HDAC8HPGD
SCHEMBL18030797 0.63 DAO (0.42) LDLR
SCHEMBL18843593 0.63 MEN1 (0.49) HRH3RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7443737 0.63 NPC1 (0.66) HDAC1RAB9ANPC1ALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988707-A Platelet activating factor, antiinflammatory agents, cardiovascular disorders and treatment of asthma G. D. SEARLE & CO. (US) 1991-01-29 US disclosed