SCHEMBL11229904

SCHEMBL11229904

CCc1ccc2c(C)c(N)c(=O)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.48
HSD17B3 P37058 2/20 0.45
MAOB P27338 6/20 0.45
ACHE P22303 5/20 0.45
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAOA P21397 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.43
STS P08842 1/20 0.41

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
SCHEMBL8388795 0.81 KDM4E (0.45) HSD17B3MAOBACHEKDM4EALDH1A1
SCHEMBL5898250 0.80 HSD17B3 (0.50) SRCHSD17B3MAOBACHEKDM4E
SCHEMBL27174640 0.80 HSD17B3 (0.43) SRCHSD17B3MAOBACHEKDM4E
SCHEMBL6907581 0.78 HSD17B3 (0.75) HSD17B3MAOBKDM4EALDH1A1HPGD
SCHEMBL31138097 0.77 AKR1B1 (0.48) KDM4EALDH1A1HPGDMAPTL3MBTL1
Hydrochloric Acid SCHEMBL961541 0.76 HSD17B3 (0.73) HSD17B3MAOBKDM4EALDH1A1HPGD
SCHEMBL25197790 0.76 KDM4E (0.42) SRCHSD17B3ACHEKDM4EALDH1A1
SCHEMBL15842733 0.76 ESR2 (0.45) SRCHSD17B3KDM4EALDH1A1HPGD
SCHEMBL14408377 0.75 ERAP1 (0.44) SRCMAOBACHEKDM4EALDH1A1
SCHEMBL27920451 0.74 ACHE (0.41) SRCHSD17B3MAOBACHEKDM4E

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-4309353-A ANTI-ALLERGIC AGENTS CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed
US-4205082-A ANTI-ALLERGIC AGENTS CIBA-GEIGY CORPORATION (US) 1980-05-27 US disclosed