SCHEMBL9626255

SCHEMBL9626255

CCc1ccc2c(c1)C(C)(C)C(=O)CC2(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
DAO P14920 1/20 0.36
PARP1 P09874 1/20 0.36
CYP26A1 O43174 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP26B1 Q9NR63 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 3/20 0.33
ADAMTS5 Q9UNA0 2/20 0.33

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
SCHEMBL6455621 0.77 PGR (0.40) DAOPARP1CYP1A2CYP2A6ALDH1A1
SCHEMBL9860639 0.76 CMA1 (0.40) SMN1; SMN2ALDH1A1MAPTHPGDKMT2A
SCHEMBL8597048 0.75 ALDH1A1 (0.43) RXRARXRBRXRGDAOPARP1
SCHEMBL3176733 0.74 RXRA (0.54) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL21974801 0.73 SRD5A1 (0.40) DAOPARP1NPSR1CYP1A2CYP2A6
SCHEMBL9625878 0.73 RARB (0.37) RXRACYP26A1NPSR1CYP1A2CYP2A6
SCHEMBL8460070 0.72 RXRA (0.49) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL10452858 0.72 PDK2 (0.41) ALDH1A1L3MBTL1NPC1RAB9AHPGD
SCHEMBL3794002 0.72 PARP1 (0.51) DAOPARP1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL3799866 0.72 PARP1 (0.48) DAOPARP1SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0339521-B1 PROCESS FOR MANUFACTURING TETRALIN DERIVATIVES, AND TETRALIN DERIVATIVES BASF Aktiengesellschaft (DE) 1992-03-18 EP disclosed
US-4950369-A Preparation of tetralin derivatives, and novel tetralin derivatives BASF AKTIENGESELLSCHAFT (DE) 1990-08-21 US disclosed
EP-0339521-A1 Process for manufacturing tetralin derivatives, and tetralin derivatives BASF Aktiengesellschaft (DE) 1989-11-02 EP disclosed