SCHEMBL21192558

SCHEMBL21192558

[CH2]CC(O)(OCCCC)OCCCC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.32
SMPD1 P17405 1/20 0.31
CES1 P23141 1/20 0.31
CYP3A4 P08684 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
SCHEMBL27854308 0.85
SCHEMBL6902239 0.82 TSHR (0.33) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL20597461 0.80 TSHR (0.39) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL851575 0.76 TSHR (0.36) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL27705656 0.75 TSHR (0.39) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL7066435 0.74 CES1 (0.47) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL6049425 0.74 TSHR (0.34) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL3117799 0.74 TSHR (0.34) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL11567707 0.74
SCHEMBL11289886 0.74 TSHR (0.42) TSHRADRB2ADRB1ADRB3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515876-A1 TWO-COMPONENT MORTAR MASS AND USE THEREOF HILTI Aktiengesellschaft (LI) 2019-07-31 EP disclosed