SCHEMBL30102553

SCHEMBL30102553

COc1cc(C(=O)OC(C)(C)C)cc(OCc2ccccc2)c1OC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SMPD1 P17405 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.48
RXRA P19793 1/20 0.48
ABCB1 P08183 1/20 0.48
ATM Q13315 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL28903577 1.00 HPGD (0.52) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL28903575 0.87 HPGD (0.66) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL30102538 0.87 HPGD (0.66) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL9202219 0.84 MRGPRX4 (0.51) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL7168025 0.84 RXRA (0.62) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL30102546 0.84 RXRA (0.62) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL9204010 0.83 RXRA (0.48) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL644658 0.83 SMPD1 (0.48) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL9680174 0.83 NPC1 (0.58) HPGDNPC1RAB9ASMN1; SMN2SMPD1
SCHEMBL30892454 0.82 HPGD (0.70) HPGDNPC1RAB9ASMN1; SMN2SMPD1

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
CN-115417766-A Synthesis method of 3-hydroxy-4, 5-dimethoxy benzoic acid tert-butyl ester 天津药明康德新药开发有限公司 2022-12-02 CN disclosed