SCHEMBL21291493

SCHEMBL21291493

CC(C)CC(C(=O)Oc1ccc(O)cc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.42
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ PTGS2 P35354 1/20 0.38
▸ FOLH1 Q04609 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ RNASEL Q05823 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL25522011 0.87 LMNA (0.47) ELANEPTGS2LMNACYP1A2CYP2C19
SCHEMBL19573301 0.85 ATM (0.50) ELANELMNACYP1A2CYP2D6TSHR
SCHEMBL19851398 0.81 POLB (0.39) ELANECA12CA1CA2CA9
SCHEMBL20345279 0.81 ELANE (0.44) ELANEMAPK1ATML3MBTL1
SCHEMBL19118004 0.79 ELANE (0.36) ELANEESR1PTGS2LMNATSHR
SCHEMBL19215817 0.79 ELANE (0.42) ELANELMNAMAPK1SMN1; SMN2GAA
SCHEMBL3678450 0.77 ELANE (0.48) ELANECA12CA1CA2CA7
SCHEMBL9679923 0.76 ESR2 (0.41) ELANECA12CA1CA2CA7
SCHEMBL5186261 0.76 ELANE (0.68) ELANECA12CA1CA2CA7
SCHEMBL19867625 0.75 GSK3B (0.41) ELANELMNATSHRMAPK1SMN1; 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-20190258168-A1 TREATMENT LIQUID AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2019-08-22 — — US disclosed
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