SCHEMBL7768377

SCHEMBL7768377

COC(=O)Nc1ccc(C(CCNC(Oc2ccccc2)C(C)O)c2ccc(NC(=O)OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
CASR P41180 7/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 4/20 0.46
TP53 P04637 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MTNR1A P48039 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
Sulfuric Acid SCHEMBL7540439 0.96 SMN1; SMN2 (0.44) SMN1; SMN2HPGDCASRALDH1A1LMNA
SCHEMBL7536032 0.91 KMT2A (0.43) SMN1; SMN2HPGDCASRALDH1A1LMNA
SCHEMBL7613185 0.90 RAB9A (0.53) SMN1; SMN2HPGDCASRALDH1A1LMNA
SCHEMBL7612545 0.90 CASR (0.46) CASRALDH1A1LMNATP53KMT2A
SCHEMBL7610407 0.89 GLA (0.48) SMN1; SMN2CASRALDH1A1LMNATP53
SCHEMBL7595294 0.88 CASR (0.50) CASRALDH1A1LMNAKMT2AMEN1
SCHEMBL7612159 0.88 RAB9A (0.46) SMN1; SMN2HPGDCASRALDH1A1LMNA
SCHEMBL7610781 0.84 ADRB2 (0.40) SMN1; SMN2HPGDCASRRAB9ANPC1
SCHEMBL7605257 0.83 KMT2A (0.41) SMN1; SMN2CASRALDH1A1LMNATP53
SCHEMBL7610419 0.82 KMT2A (0.54) SMN1; SMN2CASRALDH1A1LMNATP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP claimed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO claimed
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO disclosed