SCHEMBL7798455

SCHEMBL7798455

O[C@@H](CBr)COc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
CYP2D6 P10635 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
ADRB3 P13945 1/20 0.56
KDM4E B2RXH2 1/20 0.54
MAPT P10636 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 1/20 0.53
HIF1A Q16665 1/20 0.53
RECQL P46063 1/20 0.53
POLB P06746 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
AGER Q15109 1/20 0.47

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
SCHEMBL940062 1.00 LMNA (0.59) LMNACYP2D6L3MBTL1ADRB2ADRB1
SCHEMBL1496636 0.93 LMNA (0.52) LMNACYP2D6L3MBTL1ADRB2ADRB1
SCHEMBL267463 0.87 LMNA (0.68) LMNACYP2D6L3MBTL1ADRB2ADRB1
SCHEMBL14901597 0.83 ALDH1A1 (0.49) LMNACYP2D6KDM4EMAPTHTT
SCHEMBL14901593 0.83 MAPT (0.47) LMNACYP2D6KDM4EMAPTHTT
SCHEMBL1496796 0.82 MAPK1 (0.59) LMNAKDM4EMAPTHTTSMN1; SMN2
SCHEMBL4619478 0.81 TSHR (0.62) LMNACYP2D6L3MBTL1ADRB2ADRB1
SCHEMBL6480727 0.81 TSHR (0.62) LMNACYP2D6L3MBTL1ADRB2ADRB1
SCHEMBL117951 0.81 TSHR (0.62) LMNACYP2D6L3MBTL1ADRB2ADRB1
SCHEMBL11400908 0.81 LMNA (0.61) LMNACYP2D6L3MBTL1ADRB2ADRB1

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-1104395-A1 STEREOSELECTIVE RING OPENING REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2001-06-06 EP disclosed
WO-2000009463-A1 STEREOSELECTIVE RING OPENING REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-24 WO disclosed