SCHEMBL31503049

SCHEMBL31503049

C#CCOCCOCCOCCOCCOCc1ccc(C(=O)Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ PTPN2 P17706 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ PTPN6 P29350 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ RXRA P19793 2/20 0.33
▸ RXRB P28702 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL31502403 0.80 CA2 (0.46) TSHRALDH1A1RXRARXRBHPGD
SCHEMBL8051888 0.76 ALDH1A1 (0.43) TSHRALDH1A1RXRARXRBMEN1
SCHEMBL17758158 0.76 ALDH1A1 (0.56) ALDH1A1RXRARXRBHPGDNPC1
SCHEMBL20423790 0.75 NAAA (0.53) TSHRALDH1A1CA1CA2CA9
SCHEMBL22478741 0.74 PYCR1 (0.53) ALDH1A1HPGDKMT2AMAOAMAOB
SCHEMBL23074228 0.73 ALDH1A1 (0.43) ALDH1A1PTPN2PTPN1RXRARXRB
SCHEMBL3821073 0.73 TSHR (0.54) TSHRALDH1A1CA1CA2CA9
SCHEMBL8062502 0.73 PLA2G4B (0.48) TSHRALDH1A1RXRARXRBHRH3
SCHEMBL8061436 0.72 PLA2G4B (0.50) TSHRALDH1A1MEN1KMT2AHRH3
SCHEMBL3423851 0.72 TSHR (0.42) TSHRALDH1A1CA12CA1CA2

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-2025064788-A2 CCR5 CONJUGATES AND USES THEREOF CIDARA THERAPEUTICS, INC. (US) 2025-03-27 — — WO disclosed
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