SCHEMBL19882279

SCHEMBL19882279

C=C(C)C(=O)Oc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
RARB P10826 4/20 0.39
FAAH O00519 1/20 0.39
RARA P10276 2/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
APP P05067 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.36
RARG P13631 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
TP53 P04637 1/20 0.35
GRM2 Q14416 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL20003203 0.93 RARB (0.39) ELANERARBFAAHKMT2AATM
SCHEMBL9607895 0.91 ELANE (0.47) ELANEKMT2AATMAPPCYP2C19
SCHEMBL19624089 0.91 THRB (0.45) ELANERARBRARAKMT2AATM
SCHEMBL19214246 0.90 RARB (0.35) ELANERARBFAAHRARAAPP
SCHEMBL16140695 0.88 ELANE (0.39) ELANERARBRARAKMT2AATM
SCHEMBL16436111 0.88 ELANE (0.39) ELANERARBRARAKMT2AATM
SCHEMBL20925166 0.88 KMT2A (0.40) ELANERARBRARAKMT2AATM
SCHEMBL10020856 0.87 RARB (0.44) ELANERARBFAAHRARAKMT2A
SCHEMBL21483214 0.86 RARB (0.38) ELANERARBRARAKMT2AATM
SCHEMBL21483174 0.86 RARB (0.38) ELANERARBRARAKMT2AATM

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
EP-3083408-B1 FILLING DEVICE AND USE THEREOF FOR FILLING A FLUID MERCK PATENT GMBH (DE) 2018-02-21 EP disclosed