SCHEMBL19901752

SCHEMBL19901752

CC1CC2CC1CC2OCC1CO1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL2572895 0.88 TSHR (0.39) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL13439127 0.78 TSHR (0.32) ALDH1A1TSHR
SCHEMBL12191344 0.78 TSHR (0.32) ALDH1A1TSHR
SCHEMBL24452970 0.77 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL14418664 0.75 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL19910088 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL2143384 0.73 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL18558004 0.73 TSHR (0.40) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL27972095 0.73 TSHR (0.44) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL28681271 0.70 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1

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-9902875-B2 Composition for forming a coating type BPSG film, substrate, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-02-27 US disclosed