SCHEMBL7971242

SCHEMBL7971242

Cn1c2c(c3ccccc31)CCC(C(=O)O)=C2C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
MAOA P21397 4/20 0.51
ALDH1A1 P00352 6/20 0.49
TSHR P16473 1/20 0.49
MAOB P27338 1/20 0.48
KDM4E B2RXH2 4/20 0.42
EGFR P00533 2/20 0.42
HSD17B10 Q99714 2/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HK1 P19367 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.41
CREBBP Q92793 1/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL7988728 0.77 KDM4E (0.42) ALOX15MAPK1ALDH1A1KDM4EEGFR
SCHEMBL8792194 0.73 ALDH1A1 (0.62) MAPTALOX15MAPK1MAOAALDH1A1
SCHEMBL6071546 0.72 MAPT (0.48) MAPTALOX15MAPK1MAOAALDH1A1
SCHEMBL8792311 0.70 ALOX15 (1.00) MAPTALOX15MAPK1MAOAALDH1A1
SCHEMBL8792316 0.70 ALOX15 (1.00) MAPTALOX15MAPK1MAOAALDH1A1
SCHEMBL30223561 0.68 KDM4E (0.66) MAPTALOX15MAPK1MAOAALDH1A1
SCHEMBL21524303 0.68 MAOA (0.58) MAPTALOX15MAPK1MAOAALDH1A1
SCHEMBL22118133 0.68 KDM4E (0.66) MAPTALOX15MAPK1MAOAALDH1A1
SCHEMBL17895740 0.68 KDM4E (0.61) MAPTALOX15MAPK1MAOAALDH1A1
Bicarbonate SCHEMBL9678990 0.66 GPR3 (0.76) MAPTALDH1A1TSHRKDM4EEGFR

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
US-6300340-B1 USEFUL FOR THERAPY OF CANCER AND SOLID TUMORS ADIR ET COMPAGNIE (FR) 2001-10-09 US disclosed
US-6162822-A Bisimide compounds ADIR ET COMPAGNIE (FR) 2000-12-19 US disclosed
US-5854273-A Bisimide compounds ADIR ET COMPAGNIE (FR) 1998-12-29 US disclosed