SCHEMBL9125537

SCHEMBL9125537

O=C(NCCOc1ccccc1)Oc1ccc(Sc2ccc(OC(=O)NCCOc3ccccc3)cc2-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 2/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ MTNR1A P48039 2/20 0.43
▸ MTNR1B P49286 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ RECQL P46063 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
SCHEMBL9129066 0.80 KMT2A (0.46) —
SCHEMBL9127274 0.79 KMT2A (0.51) MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL9124109 0.79 MGLL (0.56) —
SCHEMBL9125863 0.77 GAA (0.37) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL9125478 0.75 NPC1 (0.43) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL9122885 0.75 ALDH1A1 (0.52) MAPTLMNA
SCHEMBL9127013 0.73 KMT2A (0.58) MAPTNPC1RAB9ALMNA
SCHEMBL9128109 0.73 PORCN (0.52) MAPTSMN1; SMN2LMNA
SCHEMBL9126334 0.71 KDM4E (0.45) MAPTNPC1RAB9ALMNA
SCHEMBL9127123 0.70 OPRM1 (0.39) DRD3NPC1RAB9AHPGDSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5395984-A Process for preparing 2-phenyl-1,3-propanediol SCHERING CORPORATION (US) 1995-03-07 — — US claimed
US-5395984-A Process for preparing 2-phenyl-1,3-propanediol SCHERING CORPORATION (US) 1995-03-07 — — US disclosed
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