SCHEMBL6897677

SCHEMBL6897677

C[C@H]1c2ccc(Cl)cc2OC[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.53
HCRTR2 O43614 5/20 0.40
LTB4R Q15722 4/20 0.38
LTB4R2 Q9NPC1 4/20 0.38
TAAR1 Q96RJ0 2/20 0.37
HTR2C P28335 1/20 0.36
CHEK1 O14757 1/20 0.36

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
SCHEMBL16519791 0.87 HCRTR2 (0.49) MAP3K14HCRTR2TAAR1CHEK1
SCHEMBL13834604 0.80 MAP3K14 (0.53) MAP3K14LTB4RLTB4R2TAAR1CHEK1
SCHEMBL6897674 0.80 AKR1B1 (0.38) HCRTR2LTB4RLTB4R2HTR2C
SCHEMBL1981577 0.80 MAP3K14 (0.53) MAP3K14LTB4RLTB4R2TAAR1CHEK1
SCHEMBL1981575 0.80 MAP3K14 (0.53) MAP3K14LTB4RLTB4R2TAAR1CHEK1
SCHEMBL6900318 0.80 MAP3K14 (0.53) MAP3K14LTB4RLTB4R2TAAR1CHEK1
SCHEMBL12533501 0.79 MAP3K14 (0.69) MAP3K14HCRTR2LTB4RLTB4R2TAAR1
SCHEMBL10159264 0.79 MAP3K14 (0.50) MAP3K14HCRTR2TAAR1HTR2C
SCHEMBL23505795 0.75 LTB4R (0.46) HCRTR2LTB4RLTB4R2
SCHEMBL13117923 0.75 LTB4R (0.46) HCRTR2LTB4RLTB4R2

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-2509950-B1 5-Amino-4-hydroxypentoyl amides JANSSEN R & D IRELAND (IE) 2015-02-25 EP disclosed
WO-2011070131-A1 5-AMINO- 4-HYDROXYPENTOYL AMIDES TIBOTEC PHARMACEUTICALS (IE) 2011-06-16 WO disclosed