SCHEMBL7348164

SCHEMBL7348164

CC(C)C(=O)Nc1ccc(O[C]=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 4/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MLYCD O95822 1/20 0.53
MTNR1B P49286 3/20 0.52
NPSR1 Q6W5P4 2/20 0.51
HTT P42858 2/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
RECQL P46063 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL18130988 0.82 MTNR1B (0.71) KMT2AALDH1A1MAPTMEN1RXFP1
SCHEMBL18880072 0.81 ALDH1A1 (0.73) KMT2AALDH1A1MAPTMEN1RXFP1
SCHEMBL2608943 0.80 HTT (0.70) KMT2AALDH1A1MAPTMEN1RXFP1
SCHEMBL1487474 0.80 MEN1 (0.63) KMT2AALDH1A1MAPTMEN1MTNR1B
SCHEMBL18193489 0.79 KMT2A (0.56) KMT2AALDH1A1MAPTMEN1RXFP1
SCHEMBL4093711 0.78 ALDH1A1 (0.59) KMT2AALDH1A1MAPTMEN1RXFP1
SCHEMBL24467454 0.76 MTNR1B (0.64) KMT2AALDH1A1MAPTMEN1RXFP1
SCHEMBL18119753 0.76 ALDH1A1 (0.56) KMT2AALDH1A1MAPTMEN1RXFP1
SCHEMBL18119719 0.76 MAPT (0.67) KMT2AALDH1A1MAPTMEN1NPSR1
SCHEMBL10315613 0.76 MTNR1B (0.73) KMT2AALDH1A1MAPTMEN1RXFP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed