SCHEMBL29084920

SCHEMBL29084920

CCC(S)CCCCCCCCCCN(C)C

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ DNM1 Q05193 3/20 0.48
▸ SIGMAR1 Q99720 2/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL8494442 0.91 ALDH1A1 (0.41) ALDH1A1TSHRDNM1HTR2AHRH1
SCHEMBL10943803 0.83 LMNA (0.32) DNM1
SCHEMBL10948176 0.83 LMNA (0.32) DNM1
SCHEMBL10945823 0.83 LMNA (0.32) DNM1
SCHEMBL8494447 0.80 — —
SCHEMBL10947176 0.80 OPRM1 (0.30) —
SCHEMBL11175613 0.78 FOLH1 (0.33) —
SCHEMBL29234098 0.78 FOLH1 (0.33) —
SCHEMBL26695468 0.78 FOLH1 (0.33) —
SCHEMBL6579921 0.78 FOLH1 (0.33) —

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-116672468-A Molecular image nano probe for in-vivo diagnosis and preparation method and application thereof 上海大格生物科技有限公司 2023-09-01 — — CN claimed
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