SCHEMBL9626092

SCHEMBL9626092

CC(=O)c1ccc2c(c1)C(C)(C)C(O)CC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.42
RXRB P28702 7/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
RARB P10826 10/20 0.41
RARG P13631 9/20 0.41
RXRG P48443 4/20 0.41
RARA P10276 8/20 0.39
CYP26A1 O43174 5/20 0.39
CYP3A4 P08684 5/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL10452939 0.79 RARG (0.70) RXRARXRBNPC1RAB9ARARB
SCHEMBL10452157 0.79 RARG (0.70) RXRARXRBNPC1RAB9ARARB
SCHEMBL10452940 0.79 RARG (0.70) RXRARXRBNPC1RAB9ARARB
SCHEMBL12620671 0.78 RXRA (0.42) RXRARXRBNPC1RAB9AMAPT
SCHEMBL10452950 0.77 RARG (0.54) RXRARXRBNPC1RAB9ARARB
SCHEMBL10452949 0.77 RARG (0.54) RXRARXRBNPC1RAB9ARARB
SCHEMBL4709597 0.77 CCR2 (0.35) HSD17B10AKR1B1PDK2KMT2A
SCHEMBL9860643 0.76 RARG (0.53) RXRARXRBNPC1RAB9ARARB
SCHEMBL22106247 0.76 RXRA (0.48) RXRARXRBNPC1RAB9ARARB
SCHEMBL9483506 0.76 RARB (0.67) RARBRARGRARACYP26A1CYP3A4

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 5 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 claimed
EP-0339521-A1 Process for manufacturing tetralin derivatives, and tetralin derivatives BASF Aktiengesellschaft (DE) 1989-11-02 EP claimed
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