SCHEMBL9575299

SCHEMBL9575299

C=C(F)C(=O)Oc1ccc(Br)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
HPGD P15428 3/20 0.45
TP53 P04637 2/20 0.45
KMT2A Q03164 3/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 2/20 0.44
RECQL P46063 1/20 0.43
LMNA P02545 4/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL9575167 0.79 POLB (0.37) POLB
SCHEMBL1021383 0.77 CFD (0.51) SMN1; SMN2NPC1RAB9AHPGDTP53
SCHEMBL9575168 0.77 NPC1 (0.43) SMN1; SMN2NPC1RAB9AKMT2ATSHR
SCHEMBL9661038 0.75 BCHE (0.47) SMN1; SMN2RAB9AHPGDTP53KMT2A
SCHEMBL9662600 0.74 FABP3 (0.43) NPC1RAB9ATP53KMT2ATSHR
SCHEMBL3857991 0.73 KMT2A (0.44) SMN1; SMN2NPC1RAB9AHPGDTP53
SCHEMBL16415282 0.73 KMT2A (0.55) SMN1; SMN2NPC1RAB9AHPGDTP53
SCHEMBL9575390 0.73 LDHA (0.41) RAB9AKMT2AMEN1LMNAALDH1A1
SCHEMBL27614322 0.71 KMT2A (0.52) SMN1; SMN2NPC1RAB9AHPGDTP53
SCHEMBL16641129 0.71 KDM4E (0.32) RAB9ATSHRKDM4EALDH1A1

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 3 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
EP-0249867-A2 Substituted phenyl esters of alpha-fluoroacrylic acid HOECHST AKTIENGESELLSCHAFT (DE) 1987-12-23 EP disclosed