SCHEMBL29958522

SCHEMBL29958522

N=C(CCc1ccc2c(c1)OCO2)c1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 3/20 0.52
TRPM8 Q7Z2W7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CTNNB1 P35222 1/20 0.43
TRPA1 O75762 1/20 0.43

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
SCHEMBL9137651 0.78 TAAR1 (0.62) CALM1TRPM8TAAR1CYP3A4CYP1A2
SCHEMBL21154364 0.77 CALM1 (0.65) CALM1TRPM8TAAR1POLBCYP3A4
SCHEMBL22265921 0.74 CYP19A1 (0.50) KDM4EMAPTHDAC2HDAC6
SCHEMBL1850543 0.74 CALM1 (0.69) CALM1TRPM8TAAR1CYP3A4CYP1A2
SCHEMBL29874620 0.74 CALM1 (0.69) CALM1TRPM8TAAR1CYP3A4CYP1A2
Catechol SCHEMBL28001039 0.73 CYP3A4 (0.57) CALM1TRPM8L3MBTL1TAAR1CYP3A4
SCHEMBL21154355 0.72 CALM1 (0.54) CALM1TAAR1CYP3A4MAPT
SCHEMBL5944204 0.72 TRPM8 (0.59) CALM1TRPM8TAAR1CYP3A4CYP1A2
SCHEMBL108087 0.72 TAAR1 (0.77) CALM1TAAR1CYP3A4CYP1A2MAPT
SCHEMBL24063884 0.71 CTNNB1 (0.67) CALM1L3MBTL1KDM4EMAPTCTNNB1

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-12435181-B2 Formulations capable of reacting with or removal of molecular oxygen LI SHENSHEN (US) 2025-10-07 US disclosed
US-20220235174-A1 Formulations capable of reacting with or removal of molecular oxygen LI ZHENZHEN (CN) 2022-07-28 US disclosed