SCHEMBL31469563

SCHEMBL31469563

O=C(c1ccccc1)C12CC1(c1ccccc1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
F2 P00734 1/20 0.40
CES1 P23141 3/20 0.39
CES2 O00748 2/20 0.39
TSHR P16473 2/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AKR1C1 Q04828 1/20 0.38
CYP3A4 P08684 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
POLB P06746 1/20 0.37
PARP1 P09874 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37

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
SCHEMBL17467927 0.73 MEN1 (0.57) TSHRL3MBTL1MEN1KMT2AHDAC4
SCHEMBL1107799 0.71 LMNA (0.51) LMNAF2CES1CES2TSHR
SCHEMBL17467924 0.71 AKR1C1 (0.41) LMNAAKR1C1MAPTPOLBCYP2C19
SCHEMBL30046211 0.71 AKR1C1 (0.41) LMNAAKR1C1MEN1KMT2AHDAC4
SCHEMBL28433377 0.70 LMNA (0.50) LMNAF2CES1CES2TSHR
SCHEMBL8396816 0.68 LMNA (0.44) LMNAF2CES1CES2TSHR
SCHEMBL8765171 0.68 LMNA (0.41) LMNAF2CES1CES2TSHR
SCHEMBL13562901 0.67 LMNA (0.52) LMNAF2CES1CES2TSHR
SCHEMBL8766967 0.67 LMNA (0.43) LMNAF2CES1CES2TSHR
SCHEMBL30936941 0.67 LMNA (0.56) LMNAF2CES1CES2TSHR

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-119490397-A Bicyclo [1.1.0] butanone compound and synthesis method thereof 浙江工业大学 2025-02-21 CN disclosed