SCHEMBL9614864

SCHEMBL9614864

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
LTA4H P09960 2/20 0.45
TAAR1 Q96RJ0 1/20 0.41
PLA2G2A P14555 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ACACB O00763 1/20 0.39
CYP19A1 P11511 3/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP3A5 P20815 1/20 0.38

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
SCHEMBL788296 0.86 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL19644362 0.86 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL10455828 0.82 LMNA (0.39) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL6027401 0.82 NR5A1 (0.51)
SCHEMBL3975354 0.81 THRA (0.38) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL5560846 0.80 PPARA (0.38) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL7650076 0.80 LTA4H (0.46) SMN1; SMN2LTA4HTAAR1PLA2G2AALDH1A1
SCHEMBL9575718 0.79 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL10454958 0.79 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAACACB
SCHEMBL9575749 0.79 ACACB (0.38) SMN1; SMN2ALDH1A1LMNAMAPTHPGD

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 13 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
EP-0216884-B1 PHOTO-INITIATOR FOR THE PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS MERCK PATENT GmbH (DE) 1990-08-08 EP claimed
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
EP-0216884-B1 PHOTO-INITIATOR FOR THE PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS MERCK PATENT GmbH (DE) 1990-08-08 EP disclosed
EP-0216884-A1 PHOTO-INITIATOR FOR THE PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS. MERCK PATENT GMBH (DE) 1987-04-08 EP disclosed
WO-1986005778-A1 PHOTO-INITIATORS FOR PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-10-09 WO disclosed
WO-1986005777-A1 PHOTO-INITIATOR FOR THE PHOTO-POLYMERIZATION OF UNSATURATED SYSTEMS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-10-09 WO disclosed