SCHEMBL22958846

SCHEMBL22958846

CCn1c(C)c(OC(=O)c2ccccc2-c2c(C)n(CC)c3ccccc23)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.41
▸ NTRK1 P04629 1/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ HPGD P15428 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ MAPT P10636 4/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ BLM P54132 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL18374177 0.89 CNR2 (0.51) KDM4ECNR1CNR2LMNA
SCHEMBL27589706 0.89 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL22958896 0.86 CNR2 (0.52) ALDH1A1HTTCNR1CNR2
SCHEMBL29031119 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL18255590 0.82 CNR2 (0.50) ALDH1A1HTTCNR1CNR2
SCHEMBL14959997 0.82 SCN1A (0.38) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL17067960 0.81 KMT2A (0.45) KDM4ENTRK1ALDH1A1HPGDHSD17B10
SCHEMBL18942462 0.81 PADI4 (0.41) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL19678763 0.80 CNR2 (0.43) KDM4EALDH1A1CNR1CNR2LMNA
SCHEMBL27589737 0.77 CNR2 (0.58) KDM4ECNR1CNR2LMNA

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-20210323333-A1 IMAGING MEDIUM HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2021-10-21 — — US disclosed
US-20210039414-A1 IMAGING MEDIUM HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2021-02-11 — — US disclosed
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