SCHEMBL6994989

SCHEMBL6994989

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.42
MAPK1 P28482 6/20 0.42
HPGD P15428 5/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 8/20 0.37
ALDH1A1 P00352 8/20 0.37
TDP1 Q9NUW8 6/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
MAPT P10636 5/20 0.35
APOBEC3A P31941 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
DAO P14920 1/20 0.35
CASP6 P55212 1/20 0.35
OPRD1 P41143 1/20 0.35
ATM Q13315 2/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL6994987 1.00 KDM4E (0.42) KDM4EMAPK1HPGDRAB9ASMN1; SMN2
SCHEMBL6994520 0.88 DAO (0.48) KDM4EMAPK1HPGDALDH1A1TDP1
SCHEMBL6994524 0.88 DAO (0.48) KDM4EMAPK1HPGDALDH1A1TDP1
SCHEMBL6997398 0.86 ALDH1A1 (0.48) KDM4EMAPK1HPGDRAB9ASMN1; SMN2
SCHEMBL6997401 0.86 ALDH1A1 (0.48) KDM4EMAPK1HPGDRAB9ASMN1; SMN2
SCHEMBL6989672 0.82 ALDH1A1 (0.36) MAPK1HPGDRAB9ANPC1ALDH1A1
SCHEMBL6989675 0.82 ALDH1A1 (0.36) MAPK1HPGDRAB9ANPC1ALDH1A1
SCHEMBL6991835 0.79 ALDH1A1 (0.36) KDM4EMAPK1HPGDRAB9ASMN1; SMN2
SCHEMBL6991832 0.79 ALDH1A1 (0.36) KDM4EMAPK1HPGDRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7972765 0.79 C1S (0.33) TDP1POLB

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