SCHEMBL30799362

SCHEMBL30799362

O=C(c1ccccc1)C1c2ccccc2CC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.41
EPHX1 P07099 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
MET P08581 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41
LTK P29376 1/20 0.41
GRK5 P34947 1/20 0.41
MAP2K2 P36507 1/20 0.41
FLT3 P36888 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
CDK8 P49336 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL27544807 0.79 SOAT1 (0.40) SOAT1SIGMAR1MAPK1MEN1KMT2A
SCHEMBL2822825 0.72 PARP3 (0.46) SOAT1SIGMAR1MEN1KMT2A
SCHEMBL29110224 0.71 HTT (0.46) CYP1A2TSHRCYP2C19
SCHEMBL11765843 0.68 SIGMAR1 (0.45) SIGMAR1
SCHEMBL31451062 0.68 HDAC4 (0.59) EPHX1SIGMAR1MAPK1MEN1KMT2A
SCHEMBL13975670 0.68 HDAC4 (0.59) EPHX1SIGMAR1MAPK1MEN1KMT2A
SCHEMBL29127675 0.68 SIGMAR1 (0.41) SOAT1SIGMAR1
SCHEMBL11746674 0.67 SLC18A3 (0.57) EPHX1ALOX15SLC18A3
SCHEMBL7891735 0.67 MEN1 (0.44) MAPK1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL8045772 0.67 ALDH1A1 (0.41) CAMK2AMEN1KMT2ACYP1A2TSHR

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
CN-115894141-B Method for synthesizing acyl indene alkane derivative 贺州学院 2023-12-22 CN disclosed