SCHEMBL31391124

SCHEMBL31391124

O=C(Cl)[C@@H]1CCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
HTT P42858 2/20 0.49
XBP1 P17861 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
PIN1 Q13526 1/20 0.47
BLM P54132 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX1 P07099 1/20 0.47
TSHR P16473 1/20 0.47
CRBN Q96SW2 4/20 0.46
IDO1 P14902 1/20 0.46

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
SCHEMBL2994523 1.00 ALDH1A1 (0.51) ALDH1A1HTTXBP1TAS1R3TAS1R1
SCHEMBL13240611 1.00 ALDH1A1 (0.51) ALDH1A1HTTXBP1TAS1R3TAS1R1
SCHEMBL2994517 1.00 ALDH1A1 (0.51) ALDH1A1HTTXBP1TAS1R3TAS1R1
Toluene SCHEMBL29131456 0.91 LMNA (0.48) ALDH1A1HTTXBP1TAS1R3TAS1R1
SCHEMBL7213715 0.89 PIN1 (0.58) ALDH1A1HTTXBP1TAS1R3TAS1R1
SCHEMBL30070890 0.89 PIN1 (0.58) ALDH1A1HTTXBP1TAS1R3TAS1R1
SCHEMBL27261538 0.85 HTT (0.51) ALDH1A1HTTXBP1PIN1BLM
SCHEMBL2796237 0.84 HTT (0.54) ALDH1A1HTTPIN1BLMMEN1
SCHEMBL2792830 0.84 HTT (0.54) ALDH1A1HTTPIN1BLMMEN1
SCHEMBL242244 0.84 HTT (0.54) ALDH1A1HTTPIN1BLMMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119751456-A Spiro compounds C4医药公司 2025-04-04 CN disclosed
CN-112312904-B Spiro compounds C4医药公司 2025-01-07 CN disclosed