SCHEMBL7650076

SCHEMBL7650076

CC(O)(Cc1ccc(OCCN)cc1)C(=O)C(C)(O)Cc1ccc(OCCN)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
ESR1 P03372 1/20 0.42
CYP19A1 P11511 1/20 0.42
ESR2 Q92731 1/20 0.42
ACACB O00763 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
PLA2G2A P14555 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL127434 0.86 CYP3A4 (0.47) SMN1; SMN2ALDH1A1LMNAACACBPPARG
SCHEMBL9614864 0.80 SMN1; SMN2 (0.48) LTA4HSMN1; SMN2ALDH1A1LMNAESR1
SCHEMBL7764968 0.80 CYP3A4 (0.45) SMN1; SMN2ALDH1A1LMNAACACBPPARG
SCHEMBL30125294 0.80 BLM (0.59) LTA4HSMN1; SMN2ALDH1A1LMNAACACB
SCHEMBL5560855 0.80 PPARA (0.41) ALDH1A1LMNAACACBPPARA
SCHEMBL8385819 0.79 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1LMNAACACBPPARG
SCHEMBL3680771 0.77 PPARD (0.40) LTA4HALDH1A1LMNAACACBPPARG
SCHEMBL196997 0.77 THRB (0.57) SMN1; SMN2ALDH1A1LMNAACACBPPARG
SCHEMBL6562700 0.77 POLB (0.50) ALDH1A1LMNAACACBPPARGPPARD
SCHEMBL3677849 0.77 LMNA (0.40) LTA4HALDH1A1LMNAACACBPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0495011-A4 HYDROPHILIC POLYURETHANE ELASTOMERS 1992-08-12 EP claimed
EP-0495011-A1 HYDROPHILIC POLYURETHANE ELASTOMERS PolyMedica Industries, Inc. (US) 1992-07-22 EP claimed
US-5118779-A Drug delivery POLYMEDICA INDUSTRIES, INC. (US) 1992-06-02 US claimed
WO-1991005809-A1 HYDROPHILIC POLYURETHANE ELASTOMERS POLYMEDICA INDUSTRIES, INC. (US) 1991-05-02 WO claimed
US-6475663-B1 Compositions suitable for electrochemical cells BASF AKTIENGESELLSCHAFT (DE) 2002-11-05 US disclosed
EP-0495011-A4 HYDROPHILIC POLYURETHANE ELASTOMERS 1992-08-12 EP disclosed
EP-0495011-A1 HYDROPHILIC POLYURETHANE ELASTOMERS PolyMedica Industries, Inc. (US) 1992-07-22 EP disclosed
US-5118779-A Drug delivery POLYMEDICA INDUSTRIES, INC. (US) 1992-06-02 US disclosed
WO-1991005809-A1 HYDROPHILIC POLYURETHANE ELASTOMERS POLYMEDICA INDUSTRIES, INC. (US) 1991-05-02 WO disclosed