SCHEMBL9150872

SCHEMBL9150872

CCCCCCCCCCCCCC(=O)c1ccc[nH]1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
HSD17B10 Q99714 1/20 0.51
HSD17B3 P37058 6/20 0.49
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 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
SCHEMBL9049759 1.00 TSHR (0.59) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL21061174 1.00 TSHR (0.59) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL16516272 1.00 TSHR (0.59) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL7083571 0.98 TSHR (0.61) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL30807225 0.93 TSHR (0.62) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL16135260 0.89 ALDH1A1 (0.54) TSHRALDH1A1HSD17B10FFAR1
SCHEMBL3731031 0.87 TSHR (0.49) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL3732352 0.87 TSHR (0.49) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL3170534 0.85 TSHR (0.67) TSHRMEN1KMT2AMAPTRAB9A
SCHEMBL9383990 0.82 TSHR (0.54) TSHRMEN1KMT2AMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35096-E Antilipemic, anticholesterol, arteriosclerosis MITSUBISHI CHEMICAL CORPORATION (JP) 1995-11-21 US disclosed
US-5082856-A Hyperlipemia, arteriosclerosis MITSUBISHI KASEI CORPORATION (JP) 1992-01-21 US disclosed
EP-0347902-A2 Pyrrolecarboxylic acid derivatives Mitsubishi Chemical Corporation (JP) 1989-12-27 EP disclosed