SCHEMBL26926518

SCHEMBL26926518

CCCCCCOc1ccc(C(=O)OC)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 6/20 0.47
▸ MGLL Q99685 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PTPN11 Q06124 1/20 0.42
▸ THRA P10827 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ PLA2G2D Q9UNK4 1/20 0.40

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
SCHEMBL23803972 0.92 NLRP3 (0.40) SMPD1MGLLHPGD
SCHEMBL31092565 0.84 MAPT (0.39) —
SCHEMBL17386167 0.83 EGFR (0.43) ALDH1A1HPGD
SCHEMBL26688921 0.82 KDM4E (0.40) SMPD1MGLLALDH1A1HPGD
SCHEMBL5899519 0.81 MAPT (0.50) MGLLALDH1A1HPGD
SCHEMBL17429672 0.81 UCHL1 (0.36) ALDH1A1
SCHEMBL9565566 0.79 SMPD1 (0.67) SMPD1MGLLALDH1A1HPGDPTPN11
SCHEMBL967401 0.79 SMPD1 (0.67) SMPD1MGLLALDH1A1HPGDPTPN11
SCHEMBL9304902 0.79 SMPD1 (0.67) SMPD1MGLLALDH1A1HPGDPTPN11
SCHEMBL24950547 0.79 SMPD1 (0.67) SMPD1MGLLALDH1A1HPGDPTPN11

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-2023236924-A1 BIPHENYL COMPOUND, PHARMACEUTICAL COMPOSITION, METHOD FOR PREPARING SAME, AND USE THEREOF 朗捷睿(苏州)生物科技有限公司 2023-12-14 — — WO disclosed
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