SCHEMBL7657757

SCHEMBL7657757

Nc1ccc(-c2ccccc2C(=O)O)c(C(=O)OCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
TDP1 Q9NUW8 4/20 0.52
RAB9A P51151 4/20 0.48
LMNA P02545 2/20 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 6/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 3/20 0.47
CYP3A4 P08684 3/20 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 1/20 0.45
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 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
SCHEMBL20695026 0.94 ALDH1A1 (0.60) ALDH1A1TDP1RAB9ALMNANPC1
SCHEMBL20695025 0.93 ALDH1A1 (0.57) ALDH1A1TDP1RAB9ALMNANPC1
SCHEMBL30984114 0.85 ALDH1A1 (0.51) ALDH1A1TDP1RAB9ALMNANPC1
SCHEMBL7658905 0.84 ALDH1A1 (0.61) ALDH1A1TDP1RAB9ALMNANPC1
SCHEMBL7664206 0.84 ALDH1A1 (0.61) ALDH1A1TDP1RAB9ALMNANPC1
SCHEMBL25698987 0.84 ALDH1A1 (0.45) ALDH1A1TDP1RAB9ALMNANPC1
SCHEMBL23812434 0.83 ALDH1A1 (0.63) ALDH1A1TDP1RAB9ALMNANPC1
SCHEMBL20707625 0.82 FFAR1 (0.47) ALDH1A1TDP1RAB9ALMNANPC1
SCHEMBL7660561 0.80 RAB9A (0.57) ALDH1A1TDP1RAB9ALMNANPC1
SCHEMBL20710378 0.79 HDAC1 (0.51) LMNASMN1; SMN2TSHRKMT2APOLB

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