SCHEMBL8597589

SCHEMBL8597589

N=C(N)NCC1CCC(C(=O)Oc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 6/20 0.49
▸ ELANE P08246 2/20 0.49
▸ PRSS1 P07477 6/20 0.44
▸ PRSS2 P07478 4/20 0.44
▸ PRSS3 P35030 4/20 0.44
▸ ST14 Q9Y5Y6 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PLG P00747 3/20 0.42
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC8 Q9BY41 2/20 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
SCHEMBL8597586 1.00 F2 (0.49) F2ELANEPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8599728 0.99 F2 (0.48) F2ELANEPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL11269343 0.99 F2 (0.48) F2ELANEPRSS1PRSS2PRSS3
SCHEMBL6393669 0.96 F2 (0.46) F2ELANEPRSS1PRSS2PRSS3
SCHEMBL6403908 0.92 F2 (0.43) F2ELANEPRSS1PRSS2PRSS3
SCHEMBL8597584 0.90 ELANE (0.66) F2ELANEPRSS1PRSS2PRSS3
SCHEMBL8595417 0.90 ELANE (0.66) F2ELANEPRSS1PRSS2PRSS3
SCHEMBL8597673 0.89 ELANE (0.45) F2ELANEPRSS1PRSS2PRSS3
SCHEMBL8597670 0.89 ELANE (0.45) F2ELANEPRSS1PRSS2PRSS3
SCHEMBL8596951 0.89 ELANE (0.49) F2ELANESMN1; SMN2HTTKMT2A

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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