SCHEMBL23034993

SCHEMBL23034993

O=C(O)N1CC=C(c2cc(F)ccc2Cl)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.62
SCD5 Q86SK9 2/20 0.62
MAPT P10636 4/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX15 P16050 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
CCNT1 O60563 6/20 0.41
CDK9 P50750 6/20 0.41

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
SCHEMBL4751150 0.86 SCD (0.47) SCDSCD5MAPTLMNAHTT
SCHEMBL4949255 0.83 ALDH1A1 (0.46) SCDSCD5MAPTLMNAHTT
SCHEMBL29915607 0.82 GRM1 (0.55) SCDSCD5CCNT1CDK9CNR1
SCHEMBL17222999 0.82 GRM1 (0.55) SCDSCD5CCNT1CDK9CNR1
SCHEMBL28438757 0.82 TRPV1 (0.44) SCDSCD5MAPTLMNAHTT
SCHEMBL16422890 0.81 MAPT (0.44) SCDSCD5MAPTLMNAHTT
SCHEMBL23064245 0.80 ALDH1A1 (0.48) SCDSCD5MAPTLMNAHTT
SCHEMBL28437327 0.79 MAPT (0.43) SCDSCD5MAPTLMNAHTT
SCHEMBL4776359 0.78 MAPT (0.50) SCDSCD5MAPTLMNAHTT
SCHEMBL4602817 0.78 ALDH1A1 (0.66) MAPTLMNAHTTNPSR1ALDH1A1

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-3784234-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-03-03 EP disclosed