SCHEMBL9716459

SCHEMBL9716459

CC(C)(CCc1cccs1)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.49
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
CYP2C19 P33261 2/20 0.45
FFAR1 O14842 1/20 0.43
CPT2 P23786 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
TSHR P16473 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL9716502 0.83 RIPK1 (0.46) RIPK1POLBCYP2C19NPC1RAB9A
SCHEMBL4347803 0.81 POLB (0.46) RIPK1TDP1POLBCYP2C19NPC1
SCHEMBL4473902 0.80 RIPK1 (0.51) RIPK1TDP1POLBCYP2C19NPC1
SCHEMBL4341638 0.80 RIPK1 (0.48) RIPK1TDP1POLBCYP2C19NPC1
SCHEMBL27843285 0.77 RIPK1 (0.51) RIPK1TDP1POLBCYP2C19NPC1
SCHEMBL4476863 0.75 TAAR1 (0.50) RIPK1TDP1POLBCYP2C19NPC1
SCHEMBL418868 0.75 TAAR1 (0.54) RIPK1CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL7450180 0.74 SLC13A5 (0.50) TDP1POLBCYP2C19FFAR1CPT2
SCHEMBL6235762 0.74 RIPK1 (0.46) RIPK1TDP1POLBCYP2C19NPC1
SCHEMBL654985 0.73 POLB (0.66) TDP1POLBCYP2C19FFAR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
CN-1021327-C Synthetic method of 3, 4-dihydro-4, 4-dimethylpyranone SHANGHAI INST ORGANIC CHEM (CN) 1993-06-23 CN disclosed
US-5175294-A For treatment of bone disorders ADIR ET COMPAGNIE (FR) 1992-12-29 US disclosed
US-5061704-A PATHOLOGIES INVOLVING LOSS OF BONE TISSUE ADIR ET COMPAGNIE (FR) 1991-10-29 US disclosed
CN-1037707-A Replace 3, the synthetic method of 4-dihydro pyrone SHANGHAI INST ORGANIC CHEM (CN) 1989-12-06 CN disclosed