SCHEMBL7621184

SCHEMBL7621184

Clc1ccc(Oc2nccc3cc(-c4ccco4)sc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.38
ALDH1A1 P00352 5/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 3/20 0.36
SCN9A Q15858 3/20 0.36
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
RAB9A P51151 3/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
LTA4H P09960 1/20 0.35
CASP3 P42574 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL7055574 0.72 CCNC (0.47) HPGDALDH1A1HTTKDM4ERAB9A
SCHEMBL7254159 0.68 PIM1 (0.60)
SCHEMBL5313993 0.66 RAB9A (0.50) ALDH1A1HTTMAPTPIK3R1PIK3CA
SCHEMBL1219546 0.63 CASP3 (0.61) HPGDALDH1A1HTTMAPTLMNA
SCHEMBL20804573 0.62 MAPK14 (0.39) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7621192 0.61 CDK8 (0.39) HPGDALDH1A1HTTMAPTLMNA
SCHEMBL7797446 0.60 ICAM1 (0.46) ALDH1A1KDM4ERAB9AMAPK1
SCHEMBL28304760 0.60 MAOA (0.43) HPGDALDH1A1HTTMAPTLMNA
SCHEMBL11384667 0.60 RAB9A (0.50) HPGDALDH1A1HTTLMNANPSR1
SCHEMBL21535251 0.59 PIK3R1 (0.58) HPGDALDH1A1MAPTLMNAPOLB

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-1181296-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2002-02-27 EP disclosed
WO-2000075145-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2000-12-14 WO disclosed