SCHEMBL12239586

SCHEMBL12239586

C=C(C)C(=O)Oc1cccc2c1CCCO2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.43
MTNR1B P49286 5/20 0.43
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
ELANE P08246 1/20 0.35
CTNNB1 P35222 2/20 0.35
WNT3A P56704 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 1/20 0.34

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
SCHEMBL27640856 0.87 MTNR1A (0.48) MTNR1AMTNR1BACHE
SCHEMBL27705529 0.77 RXRA (0.47) MTNR1AMTNR1BKMT2AATMELANE
SCHEMBL8823764 0.76 ACHE (0.49) CTNNB1WNT3AACHE
SCHEMBL75171 0.74 MTNR1A (0.43) MTNR1AKMT2AATMELANECTNNB1
SCHEMBL15514663 0.73 MTNR1A (0.47) MTNR1AMTNR1B
SCHEMBL23956485 0.73 MTNR1A (0.40) MTNR1AMTNR1BCTNNB1WNT3AGAA
SCHEMBL29226728 0.73 MTNR1A (0.45) MTNR1AMTNR1BCTNNB1WNT3AGAA
SCHEMBL6621347 0.73 MTNR1A (0.44) MTNR1AMTNR1BKMT2A
SCHEMBL15514834 0.72 SLC9A1 (0.48) MTNR1AMTNR1BKMT2A
SCHEMBL16659183 0.72 HTR2C (0.37) MTNR1AMTNR1BGAASMN1; SMN2ACHE

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-8039198-B2 Sulfonium salt-containing polymer, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-10-18 US disclosed
US-20090233223-A1 SULFONIUM SALT-CONTAINING POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-09-17 US disclosed