SCHEMBL23402188

SCHEMBL23402188

CCc1c(-c2ccccc2C)nn(CC)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ESR1 P03372 2/20 0.35
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
ALOX15 P16050 2/20 0.34
DPP4 P27487 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CYP1A2 P05177 1/20 0.33
HEXA P06865 1/20 0.33

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
SCHEMBL23403352 0.88 ESR1 (0.44) KDM5ATRPM8KDM4EHSD17B10ESR1
SCHEMBL23400865 0.87 TLR8 (0.38) TRPM8KDM4EESR1LMNASMN1; SMN2
SCHEMBL23402165 0.86 ESR1 (0.40) ESR1MAPTCYP1A2MEN1KMT2A
SCHEMBL23398519 0.86 TRPM8 (0.34) KDM5ATRPM8KDM4EESR1LMNA
SCHEMBL23402074 0.86 KDM5A (0.34) KDM5ATRPM8KDM4EHSD17B10ESR1
SCHEMBL23402613 0.84 TRPM8 (0.38) TRPM8KDM4EESR1LMNATSHR
SCHEMBL23402397 0.83 KDM5A (0.38) KDM5ATRPM8KDM4EHSD17B10ESR1
SCHEMBL23402497 0.81 ESR1 (0.37) KDM5ATRPM8KDM4EHSD17B10ESR1
SCHEMBL23403147 0.80 MEN1 (0.48) KDM4EHSD17B10ESR1TSHRALOX15
SCHEMBL23403273 0.79 SMN1; SMN2 (0.41) TRPM8KDM4EESR1LMNADPP4

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed