SCHEMBL7658905

SCHEMBL7658905

O=C(O)c1ccccc1-c1ccc(Br)cc1C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
TDP1 Q9NUW8 4/20 0.52
LMNA P02545 3/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
PTGER1 P34995 1/20 0.47
L3MBTL1 Q9Y468 5/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 2/20 0.47
CYP3A4 P08684 1/20 0.47
FOLH1 Q04609 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGES O14684 1/20 0.43

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
SCHEMBL7664206 0.84 ALDH1A1 (0.61) ALDH1A1TDP1LMNARAB9ANPC1
SCHEMBL7657757 0.84 ALDH1A1 (0.61) ALDH1A1TDP1LMNARAB9ANPC1
SCHEMBL7660561 0.80 RAB9A (0.57) ALDH1A1TDP1LMNARAB9ANPC1
SCHEMBL31189998 0.79 POLB (0.56) ALDH1A1TDP1LMNARAB9ANPC1
SCHEMBL30667459 0.79 ALDH1A1 (0.54) ALDH1A1TDP1LMNARAB9ANPC1
SCHEMBL31737536 0.79 ALDH1A1 (0.54) ALDH1A1TDP1LMNARAB9AL3MBTL1
SCHEMBL27413685 0.79 POLB (0.56) ALDH1A1TDP1LMNARAB9ANPC1
SCHEMBL30806015 0.79 ALDH1A1 (0.54) ALDH1A1TDP1LMNARAB9ANPC1
SCHEMBL29138237 0.79 ALDH1A1 (0.54) ALDH1A1TDP1LMNARAB9ANPC1
SCHEMBL26659803 0.79 ALDH1A1 (0.54) ALDH1A1TDP1LMNARAB9ANPC1

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-6358960-B1 FOR THERAPY OF INTRAVASCULAR COAGULATION, CORONARY THROMBOSIS, CEREBRAL INFARCTION, CEREBRAL EMBOLISM, TRANSIENT ISCHEMIC ATTACK, CEREBROVASCULAR DISORDERS, PULMONARY VASCULAR DISEASES, DEEP VENOUS THROMBOSIS, ETC. ONO PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed
EP-1078917-A1 AMIDINO DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-02-28 EP disclosed