SCHEMBL11623635

SCHEMBL11623635

[CH]=CC(O)C(C)(C)Oc1cccc(OC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 6/20 0.41
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ VNN1 O95497 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ F10 P00742 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL11517432 0.85 ATM (0.40) CETPPOLB
SCHEMBL11516078 0.82 OGG1 (0.38) LMNAPOLBKCNH2
SCHEMBL11516559 0.80 LMNA (0.36) LMNA
SCHEMBL11628654 0.78 CETP (0.40) CETPVNN1SLC22A12LMNAPOLB
SCHEMBL11518124 0.74 CASR (0.36) —
SCHEMBL3147185 0.74 GPR3 (0.50) CETPCHRM2CHRM1CHRM3SLC22A12
SCHEMBL6764359 0.73 KCNH2 (0.44) CETPCHRM2CHRM1CHRM3SLC22A12
SCHEMBL5270292 0.71 KCNH2 (0.47) CETPCHRM2CHRM1CHRM3SLC22A12
SCHEMBL11746054 0.71 KIF11 (0.39) CETPCHRM2CHRM1CHRM3KCNH2
SCHEMBL1047410 0.69 CETP (0.46) CETPHDAC8

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-4073808-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-02-14 — — US disclosed
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