SCHEMBL5569598

SCHEMBL5569598

NC(=O)NC1CSC(CCCCC(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.42
▸ LMNA P02545 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TARDBP Q13148 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ PMP22 Q01453 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ SAE1 Q9UBE0 1/20 0.42
▸ UBA2 Q9UBT2 1/20 0.42

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
SCHEMBL18994277 0.83 SMYD3 (0.44) TDP1LMNAKMT2AHSD17B10MEN1
SCHEMBL13894547 0.83 TDP1 (0.40) TDP1LMNAKMT2AHSD17B10MEN1
SCHEMBL13326329 0.79 KMT2A (0.30) KMT2ATARDBP
SCHEMBL15985021 0.79 EPHX1 (0.38) TDP1LMNAHSD17B10TSHRCYP2C9
SCHEMBL20123217 0.74 KDM5A (0.45) TDP1LMNAKMT2AHSD17B10MEN1
SCHEMBL7687386 0.70 LMNA (0.65) TDP1LMNAKMT2AHSD17B10MEN1
SCHEMBL24003310 0.70 TDP1 (0.38) TDP1LMNAKMT2AHSD17B10MEN1
SCHEMBL13033712 0.68 TDP1 (0.42) TDP1LMNAKMT2AHSD17B10MEN1
SCHEMBL11713705 0.66 LMNA (0.59) TDP1LMNAKMT2AHSD17B10MEN1
SCHEMBL24003308 0.66 LMNA (0.59) TDP1LMNAKMT2AHSD17B10MEN1

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
US-20070166249-A1 Pharmaceutical and cosmetic formulations for treating fingernails BIOEQUAL AG (CH) 2007-07-19 — — US disclosed
US-6740326-B1 WATER-FREE TOPICAL APPLICATION COMPOSITION FOR TREATMENT OF NAIL DISEASES AND NAIL CARE CONSISTING OF ANTIMYCOTIC AGENT AND LOWER ALKYL ESTER OF LACTIC ACID, MALIC ACID, TARTARIC ACID OR CITRIC ACID AS PENETRATION PROMOTING CARRIER BIOEQUAL AG (CH) 2004-05-25 — — US disclosed
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