SCHEMBL9423804

SCHEMBL9423804

CCC[N]Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.49
PPARG P37231 2/20 0.47
FFAR1 O14842 1/20 0.41
AKR1B1 P15121 1/20 0.41
ACHE P22303 2/20 0.40
PTPN5 P54829 1/20 0.40
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
PRKAG1 P54619 3/20 0.39
PRKAA1 Q13131 3/20 0.39
PRKAB1 Q9Y478 3/20 0.39
MME P08473 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6961928 0.80 PPARG (0.59) ESR2PPARGFFAR1AKR1B1ACHE
SCHEMBL360601 0.79 ESR2 (0.59) ESR2PPARGFFAR1AKR1B1ACHE
SCHEMBL24943506 0.78 ESR2 (0.54) ESR2PPARGFFAR1AKR1B1ACHE
SCHEMBL26076605 0.78 ESR2 (0.50) ESR2PPARGFFAR1AKR1B1ACHE
SCHEMBL2692039 0.77 PPARG (0.53) ESR2PPARGFFAR1AKR1B1ACHE
SCHEMBL4253889 0.76 HSD17B10 (0.58) ESR2PPARGFFAR1AKR1B1ACHE
SCHEMBL9402416 0.76 MIF (0.53) ESR2PPARGFFAR1AKR1B1ACHE
SCHEMBL6954317 0.75 HSD17B10 (0.60) ESR2PPARGFFAR1AKR1B1ACHE
SCHEMBL10718048 0.75 HSD17B10 (0.60) ESR2PPARGFFAR1AKR1B1ACHE
SCHEMBL6954649 0.75 HSD17B10 (0.60) ESR2PPARGFFAR1AKR1B1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5284954-A Process for the preparation of tetrazoles ABBOTT LABORATORIES (US) 1994-02-08 US disclosed