SCHEMBL8524895

SCHEMBL8524895

CC(C)Oc1cccc(-c2ccc(O)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.69
RXRB P28702 1/20 0.69
ABL1 P00519 3/20 0.57
ABCB1 P08183 3/20 0.57
BCR P11274 3/20 0.57
PTPN5 P54829 1/20 0.57
MEN1 O00255 1/20 0.55
ESR1 P03372 1/20 0.55
KMT2A Q03164 1/20 0.55
FFAR4 Q5NUL3 3/20 0.52
HSD17B1 P14061 3/20 0.52
HSD17B2 P37059 3/20 0.52
SLC13A5 Q86YT5 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
CNR1 P21554 1/20 0.49
ESR2 Q92731 1/20 0.47

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
SCHEMBL8469211 0.85 RXRA (0.72) RXRARXRBPTPN5MEN1KMT2A
SCHEMBL14303566 0.84 RXRA (0.66) RXRARXRBPTPN5FFAR4SLC13A5
SCHEMBL8470898 0.82 RXRA (0.64) RXRARXRBABL1ABCB1BCR
SCHEMBL8469680 0.82 HSD17B1 (0.61) RXRARXRBPTPN5MEN1ESR1
SCHEMBL27566569 0.81 ABL1 (0.53) RXRARXRBABL1ABCB1BCR
SCHEMBL8523753 0.81 CYP3A4 (0.66) RXRARXRBABL1ABCB1BCR
SCHEMBL863444 0.81 ESR2 (0.58) ABL1ABCB1BCRPTPN5MEN1
SCHEMBL24177866 0.79 ABL1 (0.79) ABL1ABCB1BCRMEN1ESR1
SCHEMBL1513611 0.79 ABL1 (0.79) ABL1ABCB1BCRMEN1ESR1
SCHEMBL2567825 0.79 RXRA (0.60) RXRARXRBPTPN5FFAR4SLC13A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999025707-A1 2-ARYLBENZO[b]THIOPHENES USEFUL FOR THE TREATMENT OF ESTROGEN DEPRIVATION SYNDROME ELI LILLY AND COMPANY (US) 1999-05-27 WO claimed