SCHEMBL9625878

SCHEMBL9625878

CC1(C)CC(=O)C(C)(C)c2cc(C=O)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.37
RARG P13631 6/20 0.37
RARA P10276 5/20 0.37
CYP2A6 P11509 7/20 0.35
RXRA P19793 3/20 0.35
ALDH1A1 P00352 5/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 2/20 0.32
PTGS2 P35354 1/20 0.32
CYP26A1 O43174 2/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 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
SCHEMBL6455621 0.77 PGR (0.40) RARBRARGRARACYP2A6ALDH1A1
SCHEMBL3838099 0.77 RARB (0.57) RARBRARGRARARXRAALDH1A1
SCHEMBL9860639 0.76 CMA1 (0.40) ALDH1A1HSD17B10KDM4ETP53SMN1; SMN2
SCHEMBL9626255 0.73 RXRA (0.37) RARBRARGRARACYP2A6RXRA
SCHEMBL10452858 0.72 PDK2 (0.41) ALDH1A1KDM4ERAB9ANPC1
SCHEMBL9626471 0.72 RARB (0.43) RARBRARGRARACYP2A6RXRA
SCHEMBL10667658 0.71 RARB (0.71) RARBRARGRARARXRAALDH1A1
SCHEMBL10667654 0.71 RARB (0.71) RARBRARGRARARXRAALDH1A1
SCHEMBL4711216 0.71 PRKDC (0.38) RXRAALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL13716890 0.70 PGR (0.40) RARBRARGRARACYP2A6ALDH1A1

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