SCHEMBL10480593

SCHEMBL10480593

C=CCCCCCCCCCCCCCCCC(C)(C)CC=C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.39
ABCC4 O15439 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
TRPA1 O75762 2/20 0.33
ACLY P53396 1/20 0.32
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LPAR3 Q9UBY5 2/20 0.31
LPAR2 Q9HBW0 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
SCHEMBL3669175 0.98 TSHR (0.42) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL4733861 0.82 TSHR (0.46) TSHRALDH1A1LPAR3
SCHEMBL27879310 0.82 TSHR (0.46) TSHRALDH1A1LPAR3
SCHEMBL9585050 0.82 TSHR (0.46) TSHRALDH1A1LPAR3
SCHEMBL21523578 0.80 TSHR (0.36) TSHRALDH1A1
SCHEMBL28254504 0.80 ALDH1A1 (0.33) TSHRALDH1A1FFAR1CPT2TDP1
SCHEMBL3120835 0.80 TSHR (0.44) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL8960454 0.79
SCHEMBL4961456 0.79 TSHR (0.46) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL3774446 0.79 TSHR (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4808758-A Hydroformylation process RUHRCHEMIE AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed