SCHEMBL10690047

SCHEMBL10690047

CCOc1ccc(C(c2ccc(N(C)C)cc2C)c2ccc(N(C)C)cc2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.41
MAOB P27338 1/20 0.40
MAPK14 Q16539 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LTC4S Q16873 1/20 0.37
RCE1 Q9Y256 1/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 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
SCHEMBL10694450 0.88 ALDH1A1 (0.39) ALDH1A1KDM4ECYP1A2TSHRHSD17B10
SCHEMBL10687283 0.85 SMN1; SMN2 (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL7778141 0.79 ALDH1A1 (0.45) MAOBALDH1A1KDM4EHPGDCYP1A2
SCHEMBL10693210 0.78 SLC2A1 (0.59) MAOBALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL10689098 0.78 TDP1 (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2TSHR
SCHEMBL9663807 0.77 RAB9A (0.46) MAOBALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL7778136 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2TSHR
SCHEMBL7780490 0.77 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2
SCHEMBL10692670 0.77 SLC2A1 (0.50) MAOBALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL10689571 0.76 MEN1 (0.51) MAOBKDM4ESMN1; SMN2CYP1A2TSHR

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-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 US disclosed
US-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 US disclosed