SCHEMBL23728003

SCHEMBL23728003

CC1(C2(CCC(=O)n3cc4ccc(C(F)(F)F)cc4c3)NC(=O)NC2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 12/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ ADAMTS5 Q9UNA0 18/20 0.35
▸ MMP13 P45452 5/20 0.35
▸ ADAMTS4 O75173 4/20 0.35
▸ MMP1 P03956 4/20 0.35
▸ MMP3 P08254 4/20 0.35
▸ MMP7 P09237 4/20 0.35
▸ MMP9 P14780 4/20 0.35
▸ MMP14 P50281 4/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ ADAM17 P78536 5/20 0.35

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
SCHEMBL31121201 0.80 DPP7 (0.41) MMP2ADAMTS5
SCHEMBL30013197 0.80 DPP7 (0.41) MMP2ADAMTS5
SCHEMBL29835226 0.80 DPP7 (0.41) MMP2ADAMTS5
SCHEMBL23745307 0.80 DPP7 (0.41) MMP2ADAMTS5
SCHEMBL23745305 0.80 DPP7 (0.41) MMP2ADAMTS5
SCHEMBL23728005 0.80 DPP7 (0.41) MMP2ADAMTS5
SCHEMBL23728089 0.78 ADAMTS5 (0.48) MMP2MMP8ADAMTS5MMP13ADAMTS4
SCHEMBL23728102 0.77 ADAMTS5 (0.58) MMP2ADAMTS5MMP13ADAMTS4MMP1
SCHEMBL23728017 0.76 ADAMTS5 (0.40) MMP2ADAMTS5MMP13ADAMTS4MMP1
SCHEMBL23727859 0.76 ADAMTS5 (0.52) MMP2ADAMTS5MMP13ADAMTS4MMP1

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
EP-4100005-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2022-12-14 — — EP disclosed
WO-2021158626-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2021-08-12 — — WO disclosed
Send feedback