SCHEMBL11834740

SCHEMBL11834740

CC(C)(C)OC(=O)C1CCCc2[nH]c3ccc(OCc4ccccc4)cc3c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.46
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
SRD5A2 P31213 1/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
GABRA1 P14867 4/20 0.42
GABRG2 P18507 4/20 0.42
GABRB3 P28472 4/20 0.42
GABRA5 P31644 4/20 0.42
GABRA3 P34903 4/20 0.42
GABRA2 P47869 4/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
GABRP O00591 2/20 0.42

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
SCHEMBL11836987 0.82 TRPV1 (0.47) MAPKAPK2MAPTLMNAHTTHTR6
SCHEMBL11842839 0.82 MAPKAPK2 (0.57) MAPKAPK2HSD17B10CYP1A2LMNAHTR6
SCHEMBL11844570 0.81 SIRT2 (0.43) HPGDKDM4EHSD17B10ALDH1A1CYP1A2
SCHEMBL11841342 0.78 SIRT1 (0.47) MAPKAPK2HPGDKDM4EALDH1A1CYP2C9
SCHEMBL11830715 0.76 PTGS1 (0.40) HTR6
SCHEMBL11838762 0.76 MAPKAPK2 (0.42) MAPKAPK2HPGDKDM4ECYP2C9MAPT
SCHEMBL11840446 0.76 MAPKAPK2 (0.42) MAPKAPK2HPGDKDM4EALDH1A1CYP2C9
SCHEMBL11847982 0.76 MAPKAPK2 (0.42) MAPKAPK2CYP2C9MAPTLMNAHTT
SCHEMBL11829601 0.76 MCHR1 (0.43) MAPKAPK2CYP2C9MAPTHTTS1PR1
SCHEMBL11833958 0.76 MAPKAPK2 (0.40) MAPKAPK2CYP2C9MAPTLMNAHTT

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-3948939-A 9-Acyl-1,2,3,4-tetrahydrocarbazole-3 and 4-carboxylic acids STERLING DRUG INC. (US) 1976-04-06 US disclosed