SCHEMBL7654363

SCHEMBL7654363

CC1=CC(C)(C)CC(N(C(=O)COc2nc3cc(C)ccc3o2)C(C)C)=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 4/20 0.35
MAPK1 P28482 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 8/20 0.33
AGPAT2 O15120 4/20 0.32
CETP P11597 1/20 0.32
CEPT1 Q9Y6K0 1/20 0.32
TP53 P04637 4/20 0.32
CASP3 P42574 2/20 0.32
SENP8 Q96LD8 2/20 0.32
SENP7 Q9BQF6 2/20 0.32
SENP6 Q9GZR1 2/20 0.32
TSHR P16473 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL7658343 0.91 ANO1 (0.37) SMN1; SMN2ALDH1A1MAPTCETPCEPT1
SCHEMBL7654307 0.89 KMT2A (0.35) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL7658033 0.88 AGPAT2 (0.37) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL7664364 0.86 POLQ (0.35) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL7652688 0.86 FASN (0.33) RAB9AMAPTTSHRLMNA
SCHEMBL7657578 0.86 SMN1; SMN2 (0.35) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL7658407 0.83 MAPT (0.33) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL8108158 0.83 SMN1; SMN2 (0.35) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL8108027 0.81 MAPT (0.34) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL7661058 0.79 ANO1 (0.39) SMN1; SMN2ALDH1A1MAPTAGPAT2CETP

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-6339042-B1 FOR COMBATING UNDESIRED PLANT GROWTH AMERICAN CYANAMID CO. 2002-01-15 US claimed
US-6339042-B1 FOR COMBATING UNDESIRED PLANT GROWTH AMERICAN CYANAMID CO. 2002-01-15 US disclosed