SCHEMBL11269716

SCHEMBL11269716

COc1ccc2c(c1)OC1(C=C2)Oc2cc(N(C)C)ccc2C=C1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.41
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
SNCA P37840 1/20 0.33
APP P05067 2/20 0.33
ALOX5 P09917 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
MAOB P27338 1/20 0.32
GAA P10253 2/20 0.32
GLA P06280 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL9333313 0.88 HTR2C (0.32) HTR2C
SCHEMBL11264128 0.85 CA12 (0.33) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL11259985 0.85 CA12 (0.33) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL3877465 0.77 CA12 (0.33) HTR2CMAPTLMNAKDM4EALDH1A1
SCHEMBL6701609 0.73 CYP2C19 (0.35) HIF1AEPAS1TSHR
SCHEMBL11237452 0.72 HTR2C (0.47) HTR2CMAPTLMNAKDM4EALDH1A1
SCHEMBL11265037 0.67 HTR2C (0.41) HTR2CMAPTLMNAKDM4EALDH1A1
SCHEMBL11586220 0.66 HTR2C (0.38) HTR2CMAPTKDM4EALDH1A1HPGD
Prococene I SCHEMBL29794343 0.65 HTR2C (0.58) HTR2CMAPTLMNAKDM4EALDH1A1
Prococene I SCHEMBL118080 0.65 HTR2C (0.58) HTR2CMAPTLMNAKDM4EALDH1A1

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
EP-0010740-B1 SPIRODIPYRANES AND THEIR USE AS COLOUR FORMERS IN COPYING PROCESSES BASF Aktiengesellschaft (DE) 1982-04-21 EP disclosed
EP-0010740-A1 Spirodipyranes and their use as colour formers in copying processes BASF Aktiengesellschaft (DE) 1980-05-14 EP disclosed