SCHEMBL3262552

SCHEMBL3262552

CC(C)OC(=O)c1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.69
CREBBP Q92793 1/20 0.69
PBRM1 Q86U86 1/20 0.65
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 1/20 0.62
HPGD P15428 1/20 0.62
HSD17B10 Q99714 1/20 0.62
KMT2A Q03164 1/20 0.60
GPR84 Q9NQS5 1/20 0.59
ATM Q13315 1/20 0.56
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
CHRNA1 P02708 1/20 0.54
CHRNG P07510 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR1A P08908 1/20 0.54
CHRM5 P08912 1/20 0.54
CYP2D6 P10635 1/20 0.54

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
SCHEMBL8464228 0.84 PBRM1 (0.61) NR4A2CREBBPPBRM1ALDH1A1KMT2A
SCHEMBL11836645 0.82 NR4A2 (0.57) NR4A2CREBBPPBRM1ALDH1A1KDM4E
SCHEMBL1093530 0.81 NR4A2 (1.00) NR4A2CREBBPPBRM1ALDH1A1KMT2A
SCHEMBL30031033 0.81 NR4A2 (1.00) NR4A2CREBBPPBRM1ALDH1A1KMT2A
SCHEMBL21438344 0.81 AHR (0.59) NR4A2CREBBPPBRM1ALDH1A1KDM4E
SCHEMBL7096698 0.81 LMNA (0.57) NR4A2CREBBPPBRM1ALDH1A1HPGD
SCHEMBL27683686 0.81 PBRM1 (0.56) NR4A2CREBBPPBRM1ALDH1A1KDM4E
SCHEMBL7615992 0.81 CYP2D6 (0.58) NR4A2CREBBPPBRM1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL28254334 0.80 NR4A2 (0.97) NR4A2CREBBPPBRM1ALDH1A1KMT2A
SCHEMBL7496719 0.79 KDM4E (0.54) NR4A2CREBBPPBRM1ALDH1A1KDM4E

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
WO-2010008727-A1 ASYMMETRIC SYNTHESIS OF ALLYL OR ALLENE OXINDOLES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-01-21 WO disclosed
US-5880126-A 9H-Pyridu ((3,4-b) indole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-09 US disclosed