SCHEMBL9672913

SCHEMBL9672913

CCCC/C(=N/Cc1ccc(-c2ccccc2C#N)cc1)OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
FFAR1 O14842 1/20 0.42
AKR1B1 P15121 1/20 0.42
TSHR P16473 1/20 0.41
PPARG P37231 2/20 0.40
MME P08473 1/20 0.40
ACHE P22303 2/20 0.39
APLNR P35414 1/20 0.38
LTB4R2 Q9NPC1 3/20 0.37
MYC P01106 1/20 0.37
WDR5 P61964 1/20 0.37
AGTR1 P30556 2/20 0.36
AGTR2 P50052 1/20 0.36
PTPN1 P18031 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
PTPN5 P54829 1/20 0.36

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
SCHEMBL9672917 1.00 ESR2 (0.43) ESR2FFAR1AKR1B1TSHRPPARG
SCHEMBL27812997 0.76 ACHE (0.44) ESR2FFAR1AKR1B1TSHRPPARG
SCHEMBL2692039 0.74 PPARG (0.53) ESR2FFAR1AKR1B1TSHRPPARG
SCHEMBL633444 0.73 MME (0.48) ESR2FFAR1AKR1B1TSHRPPARG
SCHEMBL9423804 0.73 ESR2 (0.49) ESR2FFAR1AKR1B1PPARGMME
Hydrochloric Acid SCHEMBL9844253 0.73 LTB4R2 (0.47) ESR2FFAR1AKR1B1TSHRPPARG
SCHEMBL4253889 0.73 HSD17B10 (0.58) ESR2FFAR1AKR1B1TSHRPPARG
SCHEMBL6953214 0.72 ESR2 (0.59) ESR2FFAR1AKR1B1PPARGMME
SCHEMBL1900 0.72 LTB4R2 (0.53) FFAR1AKR1B1TSHRLTB4R2AGTR1
SCHEMBL10718048 0.72 HSD17B10 (0.60) ESR2FFAR1AKR1B1TSHRPPARG

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
EP-0475898-A1 Azacyclic compounds CIBA-GEIGY AG (CH) 1992-03-18 EP disclosed