SCHEMBL9575440

SCHEMBL9575440

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.35
FABP4 P15090 2/20 0.35
KDM4E B2RXH2 2/20 0.31
EIF4A3 P38919 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FABP5 Q01469 1/20 0.31
ACHE P22303 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
SCHEMBL9576707 0.82 SMN1; SMN2 (0.47) KDM4ESMN1; SMN2
SCHEMBL9575158 0.79 TDP1 (0.33)
SCHEMBL11425812 0.77 FABP3 (0.42) FABP3FABP4KDM4EEIF4A3SMN1; SMN2
SCHEMBL9575199 0.76 MEN1 (0.41) SMN1; SMN2
SCHEMBL11421086 0.75 LMNA (0.43) FABP3FABP4KDM4ESMN1; SMN2FABP5
SCHEMBL9575148 0.73 CYP4F2 (0.41)
SCHEMBL11610312 0.73 FABP3 (0.39) FABP3FABP4KDM4EEIF4A3SMN1; SMN2
SCHEMBL11475059 0.73 MEN1 (0.47) FABP3FABP4KDM4ESMN1; SMN2FABP5
SCHEMBL9575635 0.72 TPMT (0.35)
SCHEMBL16641111 0.72

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 2 patents. 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
EP-0249867-B1 SUBSTITUTED PHENYL ESTERS OF ALPHA-FLUOROACRYLIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-02 EP disclosed