SCHEMBL9575359

SCHEMBL9575359

C=C(F)C(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
BCHE P06276 1/20 0.41
LIPE Q05469 4/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPARA Q07869 1/20 0.39
HTT P42858 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL15834836 0.83 KIF11 (0.43) ELANEMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5320836 0.83 ELANE (0.44) ELANEBCHELIPECYP11B1CYP11B2
SCHEMBL7063178 0.83 ELANE (0.50) ELANEBCHELIPECYP11B1CYP11B2
SCHEMBL9575401 0.82 KMT2A (0.41) ELANEHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL9575641 0.80 MAPT (0.42) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL9575635 0.80 TPMT (0.35) MAPT
SCHEMBL9575396 0.80 LMNA (0.55) ELANEBCHEKMT2AMAPTCYP1A2
SCHEMBL9575349 0.80 ELANE (0.39) ELANEKMT2A
SCHEMBL452065 0.80 ELANE (0.59) ELANELIPECYP11B1CYP11B2HPGD
SCHEMBL9575390 0.80 LDHA (0.41) ELANEMEN1KMT2AMAPT

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-5266668-A Substituted phenyl α-fluoroacrylates HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-30 US disclosed