SCHEMBL16628852

SCHEMBL16628852

C=CC[CH]OCCCCC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.41
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.33
GBA1 P04062 1/20 0.33
NR5A1 Q13285 1/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1455212 0.83
SCHEMBL311220 0.75
SCHEMBL982731 0.75
SCHEMBL495851 0.74 TSHR (0.38) TSHRNR5A1MEN1THRBHTT
SCHEMBL11038938 0.74 TSHR (0.38) TSHRNR5A1MEN1THRBHTT
Hexane SCHEMBL28463656 0.74 TSHR (0.58) TSHRALDH1A1THRB
Ammonia Solution, Strong SCHEMBL3349086 0.73
SCHEMBL8991650 0.73 TSHR (0.46) TSHRMEN1THRBHTTKMT2A
SCHEMBL826318 0.73 TSHR (0.46) TSHRMEN1THRBHTTKMT2A
SCHEMBL198357 0.73 TSHR (0.40) TSHRALDH1A1

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-2860176-B1 HETEROCYCLIC GROUP CONTAINED AMINO-METHANOL DERIVATIVE, AND SALT, SYNTHETIC METHOD AND USE THEREOF BEIJING FORELAND BIOPHARMA CO LTD (CN) 2017-09-27 EP disclosed
EP-2860176-A1 HETEROCYCLIC GROUP CONTAINED AMINO-METHANOL DERIVATIVE, AND SALT, SYNTHETIC METHOD AND USE THEREOF Beijing Foreland Biopharma Co., Ltd. (CN) 2015-04-15 EP disclosed