SCHEMBL9204010

SCHEMBL9204010

CC(C)(C)OC(=O)c1cc(OCc2ccccc2)c(C(=O)O)c(OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 3/20 0.48
▸ RXRB P28702 2/20 0.48
▸ RXRG P48443 2/20 0.48
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMPD1 P17405 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ SLC7A5 Q01650 1/20 0.45
▸ MRGPRX4 Q96LA9 3/20 0.45
▸ FOLH1 Q04609 2/20 0.44
▸ NR4A2 P43354 2/20 0.43
▸ NR4A1 P22736 1/20 0.43
▸ NR4A3 Q92570 1/20 0.43

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
SCHEMBL9393208 0.88 SLC7A5 (0.45) RXRARXRBRXRGHPGDLMNA
SCHEMBL644658 0.86 SMPD1 (0.48) RXRARXRBRXRGHPGDLMNA
SCHEMBL9202219 0.85 MRGPRX4 (0.51) RXRARXRBRXRGHPGDLMNA
SCHEMBL8305564 0.85 PTGER1 (0.46) RXRARXRBRXRGHPGDNPC1
SCHEMBL9393268 0.84 MRGPRX4 (0.47) RXRARXRBRXRGHPGDLMNA
SCHEMBL9200286 0.83 RXRA (0.46) RXRARXRBRXRGHPGDLMNA
SCHEMBL30102553 0.83 HPGD (0.52) RXRAHPGDLMNANPC1RAB9A
SCHEMBL28903577 0.83 HPGD (0.52) RXRAHPGDLMNANPC1RAB9A
SCHEMBL9200808 0.82 SLC7A5 (0.43) RXRARXRBRXRGHPGDLMNA
SCHEMBL10253000 0.82 SMPD1 (0.44) RXRARXRBRXRGHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 — — EP disclosed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 — — WO disclosed
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