SCHEMBL8308955

SCHEMBL8308955

CC1(C)CCC(C)(C)c2cc3c(cc21)CCN3

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
AR P10275 3/20 0.34
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
RARA P10276 1/20 0.33
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
RXRA P19793 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
HSPA9 P38646 1/20 0.31

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
SCHEMBL6908871 0.89 ATM (0.40) DRD2DRD4ALDH1A1MAPTGFER
SCHEMBL6916096 0.74 CA9 (0.50)
SCHEMBL4496862 0.73 DRD2 (0.56) DRD2DRD4ALDH1A1MAPTGFER
SCHEMBL12107979 0.73 AR (0.41) DRD2DRD4HTR2AHTR2CAR
SCHEMBL6939291 0.70 RXRA (0.36) ALDH1A1RARBRARGRARARXRA
SCHEMBL8308767 0.70 RXRA (0.36) RARBRARGRARARXRA
SCHEMBL6910132 0.69 ALDH1A1 (0.49) ALDH1A1MAPTARRARBRARG
SCHEMBL8261456 0.69 DRD2 (0.47) DRD2DRD4ALDH1A1MAPTGFER
SCHEMBL8393594 0.68 CRBN (0.39) DRD2DRD4ALDH1A1MAPTGFER
SCHEMBL11599145 0.68 RXRA (0.42) RARBRARGRARARXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0933351-A1 Tricyclic retinoids, methods for their production and use LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-08-04 EP disclosed
EP-0933350-A1 Tricyclic retinoids, methods for their production and use LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-08-04 EP disclosed
EP-0800504-A1 TRICYCLIC RETINOIDS, METHODS FOR THEIR PRODUCTION AND USE LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP disclosed
WO-1996020914-A1 TRICYCLIC RETINOIDS, METHODS FOR THEIR PRODUCTION AND USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-07-11 WO disclosed