SCHEMBL9367114

SCHEMBL9367114

COc1ccc(CCCCCCCCc2cc(C)ccc2S(=O)(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.46
ALOX15 P16050 1/20 0.46
CALM1 P0DP23 2/20 0.43
ESR1 P03372 1/20 0.43
CYP19A1 P11511 1/20 0.43
ESR2 Q92731 1/20 0.43
ALDH1A1 P00352 4/20 0.42
LTB4R Q15722 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX5 P09917 1/20 0.41
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL10372347 0.91 CALM1 (0.47) CALM1ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL5679284 0.87 IDH1 (0.44) ALDH1A1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL890366 0.86 PTGS2 (0.50) IGF1RALOX15CALM1ESR1CYP19A1
SCHEMBL18917599 0.86 IGF1R (0.40) IGF1RALOX15ESR1CYP19A1ESR2
SCHEMBL7028563 0.85 IGF1R (0.42) IGF1RALOX15ESR2ALDH1A1SMN1; SMN2
SCHEMBL8084853 0.85 GAA (0.38) ESR2ALDH1A1LMNAHPGDMEN1
SCHEMBL5718608 0.85 GAA (0.38) ESR2ALDH1A1LMNAHPGDMEN1
SCHEMBL5718660 0.85 GAA (0.38) ESR2ALDH1A1LMNAHPGDMEN1
SCHEMBL8082255 0.85 GAA (0.38) ESR2ALDH1A1LMNAHPGDMEN1
SCHEMBL8072193 0.85 GAA (0.38) ESR2ALDH1A1LMNAHPGDMEN1

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-0604529-A1 PYRIDINE COMPOUNDS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1994-07-06 EP disclosed
WO-1993006085-A1 PYRIDINE COMPOUNDS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-01 WO disclosed