SCHEMBL7772608

SCHEMBL7772608

C=CCNC(CC)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.38
CAD P27708 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FAAH O00519 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.32
ALOX15 P16050 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL7774673 0.87 CA1 (0.36) ALDH1A1NPSR1KMT2AFAAH
SCHEMBL7774746 0.83 TSHR (0.47) ALDH1A1NPSR1L3MBTL1SMN1; SMN2GAA
SCHEMBL11303751 0.81 ALDH1A1 (0.34) ALDH1A1NPSR1
SCHEMBL7766998 0.79 ALDH1A1 (0.44) ALDH1A1NPSR1SMN1; SMN2MGAMGAA
SCHEMBL10456801 0.79 ALDH1A1 (0.44) ALDH1A1NPSR1SMN1; SMN2MGAMGAA
SCHEMBL614517 0.79 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KMT2APOLBKDM4E
SCHEMBL15493555 0.78 CAD (0.43) ALDH1A1L3MBTL1CADSMN1; SMN2KMT2A
SCHEMBL8820856 0.77 ALDH1A1 (0.36) ALDH1A1NPSR1L3MBTL1CADSMN1; SMN2
SCHEMBL3043575 0.77 TSHR (0.34) ALDH1A1SMN1; SMN2KMT2AKDM4EFAAH
SCHEMBL4970112 0.77 TSHR (0.34) ALDH1A1SMN1; SMN2KMT2AKDM4EFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711813-B1 Antifouling coating composition HITACHI CHEMICAL CO LTD (JP) 2001-07-25 EP disclosed
US-5773508-A BIODEGRADABLE POLYMER OF ADDITION COPOLYMERS FOR PROTECTIVE COATINGS HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-06-30 US disclosed
EP-0711813-A2 Coating varnish composition and antifouling coating composition Hitachi Chemical Co., Ltd. (JP) 1996-05-15 EP disclosed