SCHEMBL6990213

SCHEMBL6990213

CCCCNC(=O)C=C1CCCc2sc(C(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
ALDH1A1 P00352 5/20 0.38
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
EGFR P00533 1/20 0.33
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALOX15 P16050 1/20 0.32
CSNK2A2 P19784 1/20 0.32
KDR P35968 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6990211 1.00 DAO (0.41) DAOALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6991832 0.91 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6991835 0.91 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6996478 0.88 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6996475 0.88 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6997601 0.79 HTT (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6997598 0.79 HTT (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6994520 0.77 DAO (0.48) DAOALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6997401 0.74 ALDH1A1 (0.48) DAOALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL6997398 0.74 ALDH1A1 (0.48) DAOALDH1A1CYP1A2CYP2C19KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927177-B1 NOVEL BENZOTHIOPHENE DERIVATIVES, THEIR PREPARATION AND USE AS UROKINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-26 EP disclosed
US-6274619-B1 FUSED AMIDINO TYPE COMPOUNDS SUCH AS 4-(N-BUTYLCARBAMOYLMETHYLIDENE)-2-AMIDINO-4,5,6,7-TETRAHYDROBE NZO(B)THIOPHENE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-14 US disclosed
US-6093710-A AN ENZYME INHIBITOR TREATING ANGIOGENESIS, ARTHRITIS, INFLAMMATION, METASTASIS, OSTEOPOROSIS, TUMORSANGIOGENESIS-DEPENDENT RETINOPATHIES, CONTRACEPTIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-25 US disclosed