SCHEMBL29320413

SCHEMBL29320413

NCCCCOCCCCCCC1CO1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SPHK2 Q9NRA0 7/20 0.41
SPHK1 Q9NYA1 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
EPHX1 P07099 1/20 0.35
DNM1 Q05193 1/20 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
SCHEMBL29320476 0.90 TSHR (0.41) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL28910854 0.89 TSHR (0.58) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL30823981 0.89 TSHR (0.58) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL3238852 0.89 TSHR (0.58) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL21339838 0.88 TSHR (0.46) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL1984470 0.87 TSHR (0.61) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL9181110 0.87 ALDH1A1 (0.58) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL16888378 0.87 ALDH1A1 (0.58) TSHRALDH1A1TDP1MEN1KMT2A
Diaminooctane SCHEMBL9259792 0.87 ALDH1A1 (0.58) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL11587178 0.87

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-20240228853-A1 TEXTILE TEMPERATURE REGULATING AGENTS DEVAN CHEMICALS NV (BE) 2024-07-11 US disclosed