SCHEMBL23401233

SCHEMBL23401233

Cc1c(C(C)(C)C)c(O)nn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
P2RX7 Q99572 1/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPK1 P28482 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL23403560 0.86 CDK8 (0.44) SMN1; SMN2POLBRAB9ANPC1ALDH1A1
SCHEMBL23402555 0.84 RIPK2 (0.47) TDP1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL23403382 0.83 ALDH1A1 (0.43) KDM4CSMN1; SMN2KDM4EPOLBAPEX1
SCHEMBL23402764 0.81 PDE4D (0.46) RAB9ANPC1ALDH1A1MAPTPDE4D
SCHEMBL23401413 0.80 MAPK14 (0.41) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL23403277 0.80 CYP2C9 (0.48) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1
SCHEMBL23401238 0.79 ALDH1A1 (0.41) KDM4CPOLBTDP1ALDH1A1GRN
SCHEMBL23399432 0.79 NR4A3 (0.43) POLBALDH1A1GRNSORT1MAPK1
SCHEMBL23402575 0.78 KDM4C (0.53) KDM4CSMN1; SMN2KDM4EPOLBAPEX1
SCHEMBL23400712 0.76 KDM4C (0.55) KDM4CSMN1; SMN2KDM4EPOLBAPEX1

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