SCHEMBL9174236

SCHEMBL9174236

[CH]Cc1ccc(OCC)c(OCC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 3/20 0.49
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ DRD1 P21728 1/20 0.47
▸ TBXA2R P21731 1/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ DRD3 P35462 1/20 0.47

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
SCHEMBL2521728 0.83 CALM1 (0.51) CALM1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL623585 0.79 CALM1 (0.57) CALM1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL2558627 0.79 CALM1 (0.49) CALM1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL28165285 0.79 MAPK1 (0.55) CALM1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL7651768 0.79 CALM1 (0.49) CALM1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL697888 0.79 HTT (0.61) CALM1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL2022558 0.79 CALM1 (0.49) CALM1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL7672551 0.79 ALDH1A1 (0.49) CALM1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL5240461 0.79 CSNK2A1 (0.51) CALM1ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL11911909 0.79 BIRC5 (0.62) CALM1ALDH1A1MAPK1LMNASMN1; 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-5422360-A Hydrazonoimidazolidin-4-one derivatives; treatment of diabetes and aging disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-06 — — US disclosed
EP-0531812-A1 Maillard reaction inhibitor, process for producing it, composition containing it and the use thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-17 — — EP disclosed
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