SCHEMBL5604983

SCHEMBL5604983

CC1=CCC(C(C)(C)c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
CYP3A4 P08684 3/20 0.43
ALOX15 P16050 3/20 0.43
CES2 O00748 2/20 0.43
SRD5A2 P31213 2/20 0.41
PTPN1 P18031 1/20 0.41
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNA7 P36544 1/20 0.40
STAT3 P40763 1/20 0.40
RXRA P19793 4/20 0.39
RXRB P28702 3/20 0.39
RXRG P48443 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 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
SCHEMBL5604930 1.00 LMNA (0.51) LMNACYP3A4ALOX15CES2SRD5A2
SCHEMBL9972166 0.82 LMNA (0.57) LMNACYP3A4ALOX15CES2PTPN1
SCHEMBL5604932 0.76 LMNA (0.50) LMNACYP3A4ALOX15CES2PTPN1
SCHEMBL6254288 0.76 LMNA (0.50) LMNACYP3A4ALOX15CES2PTPN1
SCHEMBL5604988 0.76 LMNA (0.50) LMNACYP3A4ALOX15CES2PTPN1
SCHEMBL20740827 0.73 LMNA (0.62) LMNACYP3A4ALOX15CES2PTPN1
SCHEMBL4354633 0.73 ALDH1A1 (0.41) LMNASRD5A2MEN1KMT2ARXRA
SCHEMBL7700315 0.71 LMNA (0.44) LMNACYP3A4ALOX15CES2PTPN1
SCHEMBL25380943 0.70 LMNA (0.57) LMNACYP3A4ALOX15CES2PTPN1
SCHEMBL12521324 0.70 LMNA (0.57) LMNACYP3A4ALOX15CES2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567013-B1 ACETALS AS INSECT REPELLANT AGENTS BENCSITS FRANZ (AT) 2007-04-18 EP claimed
EP-1567013-A1 ACETALS AS INSECT REPELLANT AGENTS Bencsits, Franz (AT) 2005-08-31 EP claimed
WO-2004039158-A1 ACETALS AS INSECT REPELLANT AGENTS BENCSITS FRANZ (AT) 2004-05-13 WO claimed