SCHEMBL18030078

SCHEMBL18030078

CC(C)(C)CC(C)(C(=O)Oc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C(O)(C(F)(F)F)C(F)(F)F)c1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ NR1H3 Q13133 6/20 0.34
▸ NR1H2 P55055 4/20 0.34
▸ MLYCD O95822 7/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TSHR P16473 1/20 0.30

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
SCHEMBL21776384 0.87 NR1H3 (0.39) LMNANR1H3NR1H2MLYCD
SCHEMBL21776385 0.86 LMNA (0.43) LMNANR1H3NR1H2MLYCDSMN1; SMN2
SCHEMBL21943829 0.85 ELANE (0.33) —
SCHEMBL21776168 0.85 LMNA (0.36) LMNANR1H3NR1H2MLYCDSMN1; SMN2
SCHEMBL18610621 0.84 MLYCD (0.36) LMNANR1H3NR1H2MLYCDSMN1; SMN2
SCHEMBL24859820 0.82 ELANE (0.30) —
SCHEMBL21776170 0.82 NPSR1 (0.33) LMNANR1H3NR1H2MAPK1NPSR1
SCHEMBL11913011 0.78 ELANE (0.37) LMNANR1H3NR1H2MLYCDSMN1; SMN2
SCHEMBL21776169 0.78 KCNJ11 (0.38) GAANPSR1
SCHEMBL9973369 0.74 ELANE (0.34) LMNANR1H3NR1H2MLYCDSMN1; 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
WO-2016132247-A1 FLUORO-ALCOHOL ADDITIVES FOR ORIENTATION CONTROL OF BLOCK COPOLYMERS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-08-25 — — WO disclosed
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