SCHEMBL31303685

SCHEMBL31303685

COC(=O)c1ccc(C#CC#C[C@@H]2C[C@H]2COC(=O)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ RAB9A P51151 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PTPN11 Q06124 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PPM1B O75688 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38

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
SCHEMBL13738565 0.89 PTPN11 (0.39) TSHRADORA3RAB9AMAPTPTPN11
SCHEMBL13740539 0.89 PTPN11 (0.39) TSHRADORA3RAB9AMAPTPTPN11
SCHEMBL16921534 0.83 PTPN11 (0.42) TSHRRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL13831242 0.80 PTPN11 (0.41) TSHRADORA3RAB9AMAPTNPC1
SCHEMBL13832184 0.79 RARB (0.37) TSHRMAPTPTPN11CYP2C9CYP2C19
SCHEMBL16925442 0.79 RARB (0.37) TSHRMAPTPTPN11CYP2C9CYP2C19
SCHEMBL16843162 0.77 PTPN11 (0.40) RAB9AMAPTPTPN11TDP1
SCHEMBL404435 0.76 TSHR (0.62) TSHRRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL16840436 0.76 PTPN11 (0.40) TSHRRAB9AMAPTPTPN11CYP1A2
SCHEMBL16843129 0.76 PTPN11 (0.40) TSHRRAB9AMAPTPTPN11CYP1A2

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-2025031048-A1 HYDROXAMIC ACID COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF AND PREPARATION METHOD THEREFOR 中国医学科学院医药生物技术研究所 2025-02-13 — — WO disclosed
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