SCHEMBL11001286

SCHEMBL11001286

OC/C=C/C(O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPA1 O75762 5/20 0.37
HRH1 P35367 1/20 0.37
MAPK1 P28482 1/20 0.37
AOC3 Q16853 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
HTR2A P28223 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL11001287 1.00 LMNA (0.40) LMNAKDM4EL3MBTL1TRPA1HRH1
SCHEMBL9656453 0.81 LMNA (0.46) LMNAKDM4EL3MBTL1MAPK1TSHR
SCHEMBL9656438 0.81 LMNA (0.46) LMNAKDM4EL3MBTL1MAPK1TSHR
SCHEMBL2243794 0.81 LMNA (0.48) LMNAKDM4EL3MBTL1TRPA1AOC3
SCHEMBL96430 0.81 LMNA (0.48) LMNAKDM4EL3MBTL1TRPA1AOC3
SCHEMBL2170476 0.81 TRPA1 (0.53) LMNAKDM4ETRPA1AOC3ALDH1A1
SCHEMBL2170478 0.81 TRPA1 (0.53) LMNAKDM4ETRPA1AOC3ALDH1A1
SCHEMBL7057351 0.79 AOC3 (0.38) KDM4ETRPA1AOC3TSHR
SCHEMBL7059435 0.79 TSHR (0.51) LMNAMAPK1AOC3TSHRSLC6A4
SCHEMBL10999062 0.79 STAT3 (0.35) LMNAALDH1A1TSHRMEN1KMT2A

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
US-4560769-A CATALYTIC CYCLIZATION OF AMMONIA OR AMINE WITH BUT-2-ENE-1,4-DIOL BASF AKTIENGESELLSCHAFT (DE) 1985-12-24 US disclosed
US-3975381-A Process for preparing γ-lactone derivatives SAGAMI CHEMICAL RESEARCH CENTER (JA) 1976-08-17 US disclosed