SCHEMBL12618679

SCHEMBL12618679

CC/C(=C/c1ccccc1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
AGTR1 P30556 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
USP2 O75604 2/20 0.42
NPC1 O15118 1/20 0.42
FKBP1A P62942 2/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
AKR1C3 P42330 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL27844827 0.85 HPGD (0.47) RAB9AALDH1A1KDM4ESMN1; SMN2USP2
SCHEMBL11788280 0.83 HPGD (0.50) ALDH1A1KDM4ESMN1; SMN2USP2MAPT
SCHEMBL11788285 0.83 HPGD (0.50) ALDH1A1KDM4ESMN1; SMN2USP2MAPT
SCHEMBL24528365 0.78 RAB9A (0.53) RAB9AALDH1A1KDM4EAGTR1L3MBTL1
SCHEMBL13165368 0.78 RAB9A (0.53) RAB9AALDH1A1KDM4EAGTR1L3MBTL1
SCHEMBL3647001 0.76 RAB9A (0.55) RAB9AALDH1A1KDM4EAGTR1L3MBTL1
SCHEMBL10419001 0.75 RAB9A (0.53) RAB9AALDH1A1KDM4EAGTR1L3MBTL1
SCHEMBL8884084 0.75 RAB9A (0.53) RAB9AALDH1A1KDM4EAGTR1L3MBTL1
SCHEMBL11463090 0.74 HTT (0.45) ALDH1A1L3MBTL1SMN1; SMN2FAAHMGLL
SCHEMBL24229621 0.74 HTT (0.45) ALDH1A1L3MBTL1SMN1; SMN2FAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288533-B1 Methods for preparing benzoxazines using aqueous solvent HENKEL CORPORATION (US) 2012-10-16 US disclosed
US-8288533-B1 Methods for preparing benzoxazines using aqueous solvent HENKEL CORPORATION (US) 2012-10-16 US disclosed
US-7951884-B1 Cure accelerators for anaerobic adhesive compositions LOCTITE (R&D) LIMITED (IE) 2011-05-31 US disclosed
US-7951884-B1 Cure accelerators for anaerobic adhesive compositions LOCTITE (R&D) LIMITED (IE) 2011-05-31 US disclosed