SCHEMBL9225166

SCHEMBL9225166

O=C(O)c1ccc(OC2C=CCCC2)cc1.O=Cc1ccc(OC2C=CCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
PARP10 Q53GL7 2/20 0.43
EPHX2 P34913 7/20 0.41
LMNA P02545 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BTK Q06187 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
FAAH O00519 3/20 0.37
SRD5A1 P18405 1/20 0.37
SRD5A2 P31213 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL3130902 0.91 EPHX2 (0.48) ALDH1A1PARP10EPHX2LMNACASP3
SCHEMBL8499078 0.89 ALDH1A1 (0.46) ALDH1A1PARP10EPHX2LMNABTK
SCHEMBL9259518 0.82 EPHX2 (0.41) ALDH1A1PARP10EPHX2LMNACASP3
SCHEMBL11755572 0.75 PARP10 (0.71) ALDH1A1PARP10EPHX2LMNACASP3
SCHEMBL9082265 0.75 ALDH1A1 (0.35) ALDH1A1PARP10BTK
SCHEMBL14339546 0.74 MAPT (0.49) ALDH1A1PARP10LMNABTK
SCHEMBL15131945 0.73 PARP10 (0.58) ALDH1A1PARP10EPHX2LMNACASP3
SCHEMBL6254824 0.73 SRC (0.41) ALDH1A1LMNATDP1
SCHEMBL1028676 0.72 EPHX2 (0.68) ALDH1A1PARP10EPHX2LMNACASP3
SCHEMBL4371441 0.72 HRH1 (0.44) ALDH1A1PARP10BTK

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
EP-0677039-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE Abbott Laboratories (US) 1995-10-18 EP disclosed