SCHEMBL6997401

SCHEMBL6997401

CCCC=C1CCCCc2sc(C(=O)O)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
DAO P14920 4/20 0.44
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
POLB P06746 4/20 0.34
GAA P10253 2/20 0.34
PKM P14618 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 3/20 0.33
HPGD P15428 3/20 0.33
MAPK1 P28482 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 3/20 0.32
KDM4E B2RXH2 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
CASP6 P55212 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
SCHEMBL6997398 1.00 ALDH1A1 (0.48) ALDH1A1DAOMEN1KMT2APOLB
SCHEMBL6994524 0.97 DAO (0.48) ALDH1A1DAOMEN1KMT2APOLB
SCHEMBL6994520 0.97 DAO (0.48) ALDH1A1DAOMEN1KMT2APOLB
SCHEMBL6989675 0.88 ALDH1A1 (0.36) ALDH1A1DAOMEN1KMT2APOLB
SCHEMBL6989672 0.88 ALDH1A1 (0.36) ALDH1A1DAOMEN1KMT2APOLB
SCHEMBL6994989 0.86 KDM4E (0.42) ALDH1A1DAOMEN1KMT2APOLB
SCHEMBL6994987 0.86 KDM4E (0.42) ALDH1A1DAOMEN1KMT2APOLB
Trifluoroacetic Acid SCHEMBL6993161 0.81 C1S (0.31) ALDH1A1MEN1KMT2AGAACYP1A2
SCHEMBL7974066 0.80 KMT2A (0.35) ALDH1A1MEN1KMT2APOLBGAA
Hydrochloric Acid SCHEMBL7972765 0.79 C1S (0.33) POLBTDP1

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 5 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
EP-0927177-A1 NOVEL BENZOTHIOPHENE DERIVATIVES, THEIR PREPARATION AND USE AS UROKINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-07 EP disclosed
WO-1998011089-A1 NOVEL BENZOTHIOPHENE DERIVATIVES, THEIR PREPARATION AND USE AS UROKINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-03-19 WO disclosed