SCHEMBL6662229

SCHEMBL6662229

CC(=O)Cc1cccc2c1CCC2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXRB P28702 9/20 0.43
RXRA P19793 9/20 0.43
RXRG P48443 6/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43
TBXA2R P21731 1/20 0.41
HDAC6 Q9UBN7 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10863869 0.97 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2RXRBRXRA
SCHEMBL28739318 0.84 RXRB (0.55) ALDH1A1LMNASMN1; SMN2RXRBRXRA
SCHEMBL19212186 0.83 RXRB (0.43) ALDH1A1LMNASMN1; SMN2RXRBRXRA
SCHEMBL8040404 0.83 BCL2L1 (0.43) ALDH1A1LMNASMN1; SMN2RXRBRXRA
SCHEMBL30150923 0.83 RXRB (0.43) ALDH1A1LMNASMN1; SMN2RXRBRXRA
SCHEMBL3408719 0.81 RXRB (0.55) ALDH1A1LMNASMN1; SMN2RXRBRXRA
SCHEMBL8011021 0.79 LMNA (0.44) ALDH1A1LMNASMN1; SMN2RXRBRXRA
SCHEMBL8011017 0.79 LMNA (0.44) ALDH1A1LMNASMN1; SMN2RXRBRXRA
SCHEMBL8638947 0.79 RXRB (0.54) ALDH1A1LMNASMN1; SMN2RXRBRXRA
SCHEMBL19354043 0.76 BCL2L1 (0.50) ALDH1A1LMNASMN1; SMN2RXRBRXRA

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-4305135-A1 2,6,6-TRIMETHYL-NORPINAN-2-OL AS AN ODORIFEROUS SUBSTANCE Symrise AG (DE) 2024-01-17 EP disclosed
EP-3774015-A1 SPHERICAL MICROPARTICLES BASF SE (DE) 2021-02-17 EP disclosed
WO-2019193094-A1 SPHERICAL MICROPARTICLES BASF SE (DE) 2019-10-10 WO disclosed
WO-2004002930-A1 ODORIFEROUS SUBSTANCES AND METHOD FOR THE PRODUCTION THEREOF SYMRISE GMBH & CO. KG (DE) 2004-01-08 WO disclosed
WO-2003097629-A1 UNSATURATED MACROCYCLIC OXALACTONE AS ODORIFEROUS SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2003-11-27 WO disclosed
WO-2002076605-A1 METHOD FOR PRODUCING ENCAPSULATIONS SYMRISE GMBH & CO. KG (DE) 2002-10-03 WO disclosed