SCHEMBL9035573

SCHEMBL9035573

CC[C]C(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ELANE P08246 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX15 P16050 2/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP1A2 P05177 2/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39

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
SCHEMBL852512 0.81 ELANE (0.41) MAPTELANETDP1KDM4EATM
SCHEMBL4544920 0.76 TDP1 (0.48) MAPTELANETDP1KDM4EATM
SCHEMBL735728 0.74 TDP1 (0.47) MAPTELANETDP1KDM4EATM
Propane SCHEMBL3801023 0.74 MAPT (0.48) MAPTELANETDP1ATML3MBTL1
SCHEMBL10751774 0.73 TDP1 (0.42) MAPTELANETDP1KDM4EATM
SCHEMBL10411906 0.72 TDP1 (0.45) MAPTELANETDP1KDM4EATM
SCHEMBL7499252 0.72 ATM (0.45) MAPTELANETDP1KDM4EATM
SCHEMBL505224 0.72 THRA (0.49) MAPTELANETDP1KDM4EATM
SCHEMBL45119 0.72 ELANE (0.72) MAPTELANETDP1ATML3MBTL1
Benzene SCHEMBL28089483 0.72 ELANE (0.72) MAPTELANETDP1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0491943-A4 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RORER INT HOLDINGS (US) 1996-02-14 EP disclosed
US-5340801-A Compounds having cholecystokinin and gastrin antagonistic properties RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-08-23 US disclosed
EP-0491943-A1 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-01 EP disclosed
WO-1992000295-A1 TETRAHYDROPYRIDOINDOLES AS CHOLECYSTOKININ AND GASTRIN ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-01-09 WO disclosed