SCHEMBL29158529

SCHEMBL29158529

C1CCC2CCCCC2C1.Cc1cccc(CC2CCCCC2)c1CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CEL P19835 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ PPM1D O15297 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PDE9A O76083 1/20 0.33
▸ ATM Q13315 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
SCHEMBL17536383 0.95 CEL (0.38) CELP2RX7PPM1DBCHEMEN1
SCHEMBL29945214 0.79 ACHE (0.43) CELP2RX7PPM1DMEN1KMT2A
SCHEMBL16937323 0.79 ACHE (0.43) CELP2RX7PPM1DMEN1KMT2A
SCHEMBL19447557 0.77 ACHE (0.44) CELP2RX7MEN1KMT2AALDH1A1
SCHEMBL17748782 0.77 CEL (0.42) CELPPM1DBCHEALDH1A1RAB9A
SCHEMBL19866594 0.75 TRPA1 (0.41) P2RX7BCHEKMT2AALDH1A1RAB9A
SCHEMBL17748787 0.70 PPM1D (0.44) CELPPM1DMEN1KMT2AALDH1A1
SCHEMBL30513718 0.70 PPM1D (0.44) CELPPM1DMEN1KMT2AALDH1A1
SCHEMBL20676749 0.70 FEN1 (0.44) CELPPM1DBCHEALDH1A1RAB9A
SCHEMBL16701188 0.68 GAA (0.47) MEN1KMT2AALDH1A1RAB9AATM

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-117446750-A Organic hydride compound system and application 中国石油大学(华东) 2024-01-26 — — CN disclosed
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