SCHEMBL17860833

SCHEMBL17860833

CCCC(C)(C)COCCCO

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
CES1 P23141 1/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 3/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL27826133 0.85 TSHR (0.41) TSHRMEN1KMT2ATHRBHTT
SCHEMBL7596565 0.84 TSHR (0.39) TSHRCYP4F2CYP4A11MEN1KMT2A
SCHEMBL17932920 0.80 TSHR (0.41) TSHRCYP4F2CYP4A11MEN1KMT2A
SCHEMBL16099119 0.80 TSHR (0.36) TSHRCYP4F2CYP4A11MEN1KMT2A
SCHEMBL27797477 0.80 HSD17B10 (0.32) LMNAHSD17B10
SCHEMBL7760665 0.77 LMNA (0.34) TSHRLMNAHSD17B10
SCHEMBL27888438 0.76 CYP3A4 (0.31) TSHRHSD17B10
SCHEMBL27905237 0.76 CYP3A4 (0.31) TSHRHSD17B10
SCHEMBL8931996 0.75 TSHR (0.39) TSHRCYP4F2CYP4A11MEN1KMT2A
SCHEMBL5961026 0.75 GBA2 (0.41) TSHRCYP4F2CYP4A11MEN1KMT2A

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
WO-2016100578-A2 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed