SCHEMBL6994524

SCHEMBL6994524

CCCC=C1CCCc2sc(C(=O)O)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.48
ALDH1A1 P00352 8/20 0.44
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 3/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.31
NOTUM Q6P988 1/20 0.31
PKM P14618 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 3/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.30

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
SCHEMBL6994520 1.00 DAO (0.48) DAOALDH1A1POLBTDP1HPGD
SCHEMBL6997398 0.97 ALDH1A1 (0.48) DAOALDH1A1POLBTDP1HPGD
SCHEMBL6997401 0.97 ALDH1A1 (0.48) DAOALDH1A1POLBTDP1HPGD
SCHEMBL6994987 0.88 KDM4E (0.42) DAOALDH1A1POLBTDP1HPGD
SCHEMBL6994989 0.88 KDM4E (0.42) DAOALDH1A1POLBTDP1HPGD
SCHEMBL6989675 0.85 ALDH1A1 (0.36) DAOALDH1A1POLBTDP1HPGD
SCHEMBL6989672 0.85 ALDH1A1 (0.36) DAOALDH1A1POLBTDP1HPGD
Hydrochloric Acid SCHEMBL7972765 0.82 C1S (0.33) POLBTDP1
Hydrochloric Acid SCHEMBL7972762 0.82 C1S (0.33) POLBTDP1
Trifluoroacetic Acid SCHEMBL6993161 0.79 C1S (0.31) ALDH1A1HPGDCYP1A2CYP2C19MEN1

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