SCHEMBL23095705

SCHEMBL23095705

C=C(c1cc(OCC)c(C(=O)O)cc1C)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 3/20 0.47
ALOX15 P16050 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
ABCC1 P33527 1/20 0.45
PRMT5 O14744 1/20 0.44
FKBP1A P62942 2/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL17560229 0.88 NPSR1 (0.60) ALDH1A1HPGDNPSR1KMT2AHSD17B10
SCHEMBL17560155 0.76 NPSR1 (0.57) ALDH1A1HPGDNPSR1KMT2AHSD17B10
SCHEMBL25110080 0.76 HSD17B10 (0.67) ALDH1A1HPGDNPSR1KMT2AHSD17B10
SCHEMBL17076711 0.73 NPSR1 (0.60) ALDH1A1HPGDNPSR1KMT2AHSD17B10
SCHEMBL2828736 0.72 TSHR (0.75) ALDH1A1HPGDKMT2AHSD17B10TSHR
SCHEMBL12125043 0.70 HSD17B10 (0.66) ALDH1A1HPGDNPSR1KMT2AHSD17B10
SCHEMBL25110078 0.69 HSD17B10 (0.61) ALDH1A1HPGDNPSR1KMT2AHSD17B10
SCHEMBL20305945 0.68 ALDH1A1 (0.57) ALDH1A1HPGDNPSR1KMT2AHSD17B10
SCHEMBL17560163 0.68 NPSR1 (0.56) ALDH1A1HPGDNPSR1KMT2AHSD17B10
SCHEMBL23095704 0.67 NPSR1 (0.54) ALDH1A1HPGDNPSR1KMT2AHSD17B10

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-3189048-B1 AMINOINDANE-, AMINOTETRAHYDRONAPHTHALENE- AND AMINOBENZOCYCLOBUTANE-DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-03-17 EP disclosed