SCHEMBL9422015

SCHEMBL9422015

C=CCOC(=O)c1cccc(C)c1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.67
ALDH1A1 P00352 4/20 0.58
HSD17B10 Q99714 3/20 0.58
TSHR P16473 2/20 0.58
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
CYP2D6 P10635 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RHOA P61586 1/20 0.40
CXCR5 P32302 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
SCHEMBL11181389 0.92 CYP3A4 (0.73) CYP3A4ALDH1A1HSD17B10TSHRMEN1
SCHEMBL8238432 0.87 CYP3A4 (0.77) CYP3A4ALDH1A1HSD17B10TSHRMEN1
SCHEMBL11800019 0.86 CYP3A4 (0.65) CYP3A4ALDH1A1HSD17B10TSHRMEN1
SCHEMBL9364125 0.86 CYP3A4 (0.65) CYP3A4ALDH1A1HSD17B10TSHRMEN1
SCHEMBL27597729 0.86 CYP3A4 (0.65) CYP3A4ALDH1A1HSD17B10TSHRMEN1
SCHEMBL6423366 0.85 KMT2A (0.52) CYP3A4ALDH1A1HSD17B10TSHRMEN1
SCHEMBL7563232 0.84 ALDH1A1 (0.72) CYP3A4ALDH1A1HSD17B10TSHRMEN1
SCHEMBL3264446 0.84 CYP3A4 (0.63) CYP3A4ALDH1A1HSD17B10TSHRMEN1
SCHEMBL2361415 0.84 ALDH1A1 (0.63) CYP3A4ALDH1A1HSD17B10TSHRMEN1
SCHEMBL27438623 0.83 CYP3A4 (0.61) CYP3A4ALDH1A1HSD17B10TSHRMEN1

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-0579510-A2 Propylene polymers and process for preparing the same Mitsubishi Chemical Corporation (JP) 1994-01-19 EP disclosed