SCHEMBL8788007

SCHEMBL8788007

Cc1ccccc1C(C)n1nnc(-c2cc(CO)ccc2-c2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KCNJ6 P48051 1/20 0.34
KCNJ3 P48549 1/20 0.34
AAK1 Q2M2I8 2/20 0.33
MGLL Q99685 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADRB2 P07550 1/20 0.33
MAPT P10636 1/20 0.32
PHGDH O43175 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL8783654 0.90 ABCG2 (0.34) TSHRNPC1RAB9ASMN1; SMN2ABCG2
SCHEMBL8783303 0.89 L3MBTL1 (0.39) NPC1RAB9AABCG2L3MBTL1AAK1
SCHEMBL8783252 0.81 ABCG2 (0.34) TSHRNPC1RAB9ASMN1; SMN2ABCG2
SCHEMBL8783695 0.81 L3MBTL1 (0.39) NPC1RAB9AABCG2L3MBTL1MGLL
SCHEMBL8783280 0.80 TSHR (0.42) TSHRNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL8783160 0.74 ABCG2 (0.36) TSHRNPC1RAB9AABCG2L3MBTL1
SCHEMBL8783269 0.74 MEN1 (0.44) TSHRSMN1; SMN2ALDH1A1ALOX15MEN1
SCHEMBL8783143 0.73 ABCG2 (0.35) NPC1RAB9AABCG2L3MBTL1
SCHEMBL7346917 0.72 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2ABCG2L3MBTL1
SCHEMBL8783359 0.72 NPSR1 (0.47) TSHRALOX15MEN1KMT2A

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
EP-0760815-A1 PROCESSES FOR PREPARING 1-BUTYL-2-[2'-(2H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-1H-INDOLE-3-CARBOXYLIC ACID SYNTEX (U.S.A.) INC. (US) 1997-03-12 EP disclosed
WO-1995032962-A1 PROCESSES FOR PREPARING 1-BUTYL-2-[2'-(2H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-1H-INDOLE-3-CARBOXYLIC ACID SYNTEX (U.S.A.) INC. (US) 1995-12-07 WO disclosed