SCHEMBL7528998

SCHEMBL7528998

C=C(C)C(=O)OC(C)Oc1ccccc1.C=C(C)C(=O)OC1(Cc2ccccc2)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.41
CTSL P07711 5/20 0.41
CTSB P07858 4/20 0.41
CTSS P25774 1/20 0.39
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ELANE P08246 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7521250 0.90 APOBEC3A (0.36) CTSKCTSLCTSBCTSSAPOBEC3A
SCHEMBL7252956 0.90 CTSK (0.37) CTSKCTSLCTSBCTSS
SCHEMBL15188009 0.86 CTSK (0.48) CTSKCTSLCTSBCTSSELANE
SCHEMBL7251880 0.80 KDM4E (0.30) APOBEC3AAPOBEC3G
SCHEMBL21370 0.79 MTNR1A (0.45) MTNR1AMTNR1BELANEMEN1KMT2A
SCHEMBL7523921 0.77 CTSK (0.35) CTSKCTSLCTSBCTSSAPOBEC3A
Methacrylic Acid SCHEMBL25394729 0.77 MTNR1A (0.43) MTNR1AMTNR1BELANEMEN1KMT2A
SCHEMBL18106793 0.77 ALDH1A1 (0.46) MTNR1AMTNR1BELANEKMT2APPARG
SCHEMBL7251835 0.75 CTSK (0.42) CTSKCTSLCTSBCTSSELANE
SCHEMBL7184057 0.74 MTNR1A (0.41) MTNR1AMTNR1BELANEMEN1KMT2A

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-20020039701-A1 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-04-04 US disclosed