SCHEMBL31497113

SCHEMBL31497113

COc1ccc(CC[C@H]2CCCCC2=O)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA4 P22748 2/20 0.53
CA6 P23280 2/20 0.53
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
EPHX1 P07099 1/20 0.48
ATM Q13315 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSP90AA1 P07900 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
LYPLA1 O75608 1/20 0.44
LYPLA2 O95372 1/20 0.44
ABHD16A O95870 1/20 0.44
PAX8 Q06710 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL31497114 1.00 CA1 (0.53) CA1CA2CA4CA6MEN1
SCHEMBL7041587 0.86 CA2 (0.70) CA1CA2CA4CA6MEN1
SCHEMBL18253935 0.80 KDM4E (0.53) CA1CA2CA4CA6KMT2A
SCHEMBL670094 0.78 SLC6A4 (0.50) CA1CA2MEN1KMT2AEPHX1
SCHEMBL670425 0.78 SLC6A4 (0.50) CA1CA2MEN1KMT2AEPHX1
SCHEMBL670518 0.78 SLC6A4 (0.50) CA1CA2MEN1KMT2AEPHX1
SCHEMBL11792546 0.75 CA2 (0.53) CA1CA2CA4CA6MEN1
SCHEMBL7489248 0.75 CA1 (0.67) CA1CA2CA4CA6KMT2A
SCHEMBL182214 0.74 KDM4E (0.59) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL28060653 0.74 CA1 (0.65) CA1CA2CA4CA6MEN1

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-119698468-A Biocatalysts and methods thereof 特沙诺有限公司 2025-03-25 CN disclosed