SCHEMBL7536032

SCHEMBL7536032

COC(=O)Nc1ccc(C(CCNC(Oc2ccc(O)cc2)C(C)O)c2ccc(NC(=O)OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MITF O75030 2/20 0.43
CASR P41180 1/20 0.43
SMN1; SMN2 Q16637 7/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
HPGD P15428 3/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 5/20 0.39
GAA P10253 4/20 0.39
GFER P55789 2/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL7768377 0.91 SMN1; SMN2 (0.48) KMT2AMEN1MITFCASRSMN1; SMN2
Sulfuric Acid SCHEMBL7540439 0.87 SMN1; SMN2 (0.44) KMT2AMEN1MITFCASRSMN1; SMN2
SCHEMBL7610781 0.86 ADRB2 (0.40) CASRSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL7611728 0.83 ADRB2 (0.46) CASRSMN1; SMN2HPGDADRB2ADRB1
SCHEMBL7610419 0.82 KMT2A (0.54) KMT2AMEN1MITFCASRSMN1; SMN2
SCHEMBL7613185 0.82 RAB9A (0.53) KMT2AMEN1CASRSMN1; SMN2RAB9A
SCHEMBL7612545 0.81 CASR (0.46) KMT2AMEN1CASRRAB9ANPC1
SCHEMBL7610407 0.80 GLA (0.48) KMT2AMEN1CASRSMN1; SMN2RAB9A
SCHEMBL7595294 0.80 CASR (0.50) KMT2AMEN1CASRALDH1A1LMNA
SCHEMBL7612159 0.79 RAB9A (0.46) KMT2AMEN1CASRSMN1; SMN2RAB9A

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
WO-2002036552-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-10 WO claimed
WO-2002036552-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-10 WO disclosed