SCHEMBL8693304

SCHEMBL8693304

CCOC(=O)Cn1c(C(=O)O)c(C)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
RAB9A P51151 1/20 0.60
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 5/20 0.58
HTT P42858 1/20 0.57
TSHR P16473 2/20 0.56
HSD17B10 Q99714 2/20 0.56
HPGD P15428 1/20 0.56
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 1/20 0.56
CTNNB1 P35222 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 1/20 0.48

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
SCHEMBL8693113 0.84 TNF (0.60) KDM4EALDH1A1TSHRCTNNB1
SCHEMBL26694179 0.84 TDP1 (0.71) KDM4ERAB9ATDP1ALDH1A1HTT
SCHEMBL151122 0.84 KDM4E (0.71) KDM4ERAB9ATDP1ALDH1A1HTT
SCHEMBL29540705 0.84 KDM4E (0.71) KDM4ERAB9ATDP1ALDH1A1HTT
SCHEMBL13066068 0.80 KDM4E (0.70) KDM4ERAB9ATDP1ALDH1A1HTT
SCHEMBL31372463 0.80 KDM4E (0.70) KDM4ERAB9ATDP1ALDH1A1HTT
SCHEMBL21647533 0.77 PTGER4 (0.51) KDM4EALDH1A1TSHRHSD17B10LMNA
SCHEMBL17625299 0.77 FOLH1 (0.62) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3679623 0.77 ALDH1A1 (0.54) KDM4EALDH1A1TSHRHPGDMEN1
SCHEMBL21647636 0.76 ALDH1A1 (0.50) KDM4EALDH1A1TSHRHPGDL3MBTL1

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-5760032-A GASTROINTESTINAL DISORDERS AND NERVOUS SYSTEM DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-06-02 US disclosed
EP-0776892-A1 THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-04 EP disclosed