SCHEMBL22187010

SCHEMBL22187010

CC(=O)N(CC1CCCO1)c1cc[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ OXTR P30559 5/20 0.42
▸ TSHR P16473 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ AVPR1A P37288 4/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ AVPR2 P30518 1/20 0.40
▸ AVPR1B P47901 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
SCHEMBL20772747 0.84 SMN1; SMN2 (0.49) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL20773830 0.84 KMT2A (0.48) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL20773155 0.84 POLB (0.48) ALDH1A1ALOX15MEN1KMT2ATSHR
SCHEMBL20773041 0.81 GAA (0.48) ALDH1A1KDM4EHSD17B10ALOX15MEN1
SCHEMBL22109033 0.81 KMT2A (0.46) ALDH1A1KDM4EALOX15MEN1KMT2A
SCHEMBL29779980 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL20773176 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL20777381 0.80 MGLL (0.44) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL20772764 0.80 TRPM8 (0.42) ALDH1A1KDM4EHSD17B10ALOX15MEN1
SCHEMBL29779983 0.80 TRPM8 (0.42) ALDH1A1KDM4EHSD17B10ALOX15MEN1

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
EP-3675809-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2020-07-08 — — EP disclosed
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