SCHEMBL31687641

SCHEMBL31687641

CC1(C)CC1(C(=O)O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.46
SLC6A3 Q01959 7/20 0.44
CCR6 P51684 4/20 0.44
KCNH2 Q12809 2/20 0.44
EPHX2 P34913 1/20 0.42
SLC6A2 P23975 2/20 0.41
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TRPV1 Q8NER1 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
SCHEMBL11137595 0.84 EPHX2 (0.42) SLC6A4SLC6A3EPHX2SLC6A2KMT2A
Hydrochloric Acid SCHEMBL11225523 0.83 EPHX2 (0.41) SLC6A4SLC6A3EPHX2SLC6A2KMT2A
SCHEMBL2033743 0.80 CFTR (0.47) KMT2A
SCHEMBL31687688 0.78 MMP2 (0.47)
SCHEMBL1710788 0.76 HSD11B1 (0.45) SLC6A3KMT2AMEN1
SCHEMBL11280832 0.76 KMT2A (0.47) KMT2AMEN1
SCHEMBL1465617 0.76 KMT2A (0.48) SLC6A4SLC6A3EPHX2SLC6A2KMT2A
SCHEMBL3521192 0.76 SLC6A4 (0.44) SLC6A4SLC6A3CCR6SLC6A2KMT2A
SCHEMBL11224858 0.75 EPHX2 (0.42) SLC6A4SLC6A3EPHX2SLC6A2KMT2A
SCHEMBL14894559 0.75 SLC6A4 (0.41) SLC6A4SLC6A3EPHX2SLC6A2KMT2A

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-4620952-A1 AMIDE COMPOUNDS OR SALTS THEREOF, BACTERICIDAL AGENTS FOR AGRICULTURE AND HORTICULTURE CONTAINING SAID COMPOUNDS, AND METHOD OF USING SAME Nihon Nohyaku Co., Ltd. (JP) 2025-09-24 EP disclosed