SCHEMBL5200399

SCHEMBL5200399

COC(=O)Oc1cccc2c1OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KMT2A Q03164 1/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
MGAM O43451 1/20 0.40
AMY1A P0DUB6 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
HTR2A P28223 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL15967834 0.84 MTNR1A (0.40) MTNR1AALDH1A1CTNNB1WNT3AMGAM
SCHEMBL14754177 0.83 KDM4E (0.47) MTNR1AKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL11725965 0.83 ALDH1A1 (0.61) MTNR1AHSD17B10ALDH1A1MGAMAMY1A
SCHEMBL15967702 0.82 MTNR1A (0.38) MTNR1AALDH1A1CTNNB1WNT3AMGAM
SCHEMBL15994132 0.82 MTNR1A (0.43) MTNR1AALDH1A1KMT2ACTNNB1WNT3A
SCHEMBL8951994 0.81 KDM4C (0.41) MTNR1AKDM4EHPGDALDH1A1CTNNB1
SCHEMBL11776414 0.80 MGAM (0.42) MTNR1AKDM4EHPGDALDH1A1KMT2A
SCHEMBL75171 0.79 MTNR1A (0.43) MTNR1AKDM4EHPGDALDH1A1KMT2A
SCHEMBL18714060 0.79 ELANE (0.49) MTNR1AALDH1A1CTNNB1WNT3AMGAM
SCHEMBL1145699 0.79 ALDH1A1 (0.47) HPGDALDH1A1CTNNB1WNT3AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492771-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2007-02-28 EP disclosed
EP-1670458-B1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AG (DE) 2006-12-20 EP disclosed
EP-1670458-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-21 EP disclosed
WO-2005034939-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 WO disclosed
EP-1492771-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-05 EP disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 WO disclosed