SCHEMBL9437652

SCHEMBL9437652

NC(=O)[C@H](Cc1nccs1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCNC(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.40
MMP1 P03956 2/20 0.39
FCER2 P06734 2/20 0.39
HPGDS O60760 5/20 0.38
HSPA1A P0DMV8 1/20 0.38
HSPA5 P11021 1/20 0.38
HSPA9 P38646 1/20 0.38
HSPA2 P54652 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
PTPRB P23467 1/20 0.36

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
SCHEMBL7338835 0.83 REN (0.46) RENMMP1FCER2
SCHEMBL7338208 0.81
SCHEMBL7332191 0.79 REN (0.35) RENHPGDSHSPA1AHSPA5HSPA9
SCHEMBL7336873 0.76 REN (0.40) RENMMP1HSPA1AHSPA5HSPA9
SCHEMBL9437614 0.73 F2 (0.36) RENALDH1A1TSHR
SCHEMBL9437538 0.73 ALDH1A1 (0.37) RENALDH1A1TSHRMMP2
SCHEMBL7330902 0.72 REN (0.36) RENTSHR
SCHEMBL7330043 0.72 F2 (0.37) RENTSHR
SCHEMBL9437602 0.71 F2 (0.36) ALDH1A1TSHRMMP2
SCHEMBL7331751 0.71 REN (0.54) RENMMP1FCER2

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-5332742-A Ocular hypotensive ABBOTT LABORATORIES (US) 1994-07-26 US disclosed