SCHEMBL8597670

SCHEMBL8597670

CC(=O)c1ccc(OC(=O)[C@H]2CC[C@H](CNC(=N)N)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.45
▸ F2 P00734 4/20 0.43
▸ PRSS1 P07477 3/20 0.43
▸ PRSS2 P07478 3/20 0.43
▸ PRSS3 P35030 3/20 0.43
▸ ST14 Q9Y5Y6 2/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PLG P00747 2/20 0.42
▸ POLB P06746 1/20 0.40
▸ MMP12 P39900 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PARP15 Q460N3 1/20 0.37

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
SCHEMBL8597673 1.00 ELANE (0.45) ELANEF2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL11286959 0.99 ELANE (0.44) ELANEF2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL11286962 0.99 ELANE (0.44) ELANEF2PRSS1PRSS2PRSS3
SCHEMBL8597586 0.89 F2 (0.49) ELANEF2PRSS1PRSS2PRSS3
SCHEMBL8597589 0.89 F2 (0.49) ELANEF2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL11277236 0.88 ELANE (0.43) ELANEF2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL11277234 0.88 ELANE (0.43) ELANEF2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL11269343 0.88 F2 (0.48) ELANEF2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8599728 0.88 F2 (0.48) ELANEF2PRSS1PRSS2PRSS3
SCHEMBL8598845 0.88 MMP13 (0.45) ELANEF2PRSS1PRSS2PRSS3

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
EP-0585130-B1 External preparation for skin containing a depigmentation agent SHISEIDO CO LTD (JP) 1998-01-28 — — EP disclosed
US-5690914-A TRANEXAMIC ACID DERIVATIVES FOR DEPIGMENTATION SHISEIDO CO., LTD (JP) 1997-11-25 — — US disclosed
EP-0585130-A2 External preparation for skin containing a depigmentation agent SHISEIDO COMPANY LIMITED (JP) 1994-03-02 — — EP disclosed
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