SCHEMBL7770641

SCHEMBL7770641

C=CCNCCC(=O)OCCCC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
DGKA P23743 1/20 0.44
LMNA P02545 2/20 0.43
FAAH O00519 1/20 0.42
ATM Q13315 1/20 0.42
DNM1 Q05193 1/20 0.41
NAAA Q02083 1/20 0.41
HTR2C P28335 1/20 0.41
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
EPHX2 P34913 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LTA4H P09960 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
SCHEMBL11348374 0.95 TSHR (0.49) TSHRHPGDDGKAFAAHDNM1
SCHEMBL7774748 0.92 TSHR (0.49) TSHRHPGDDGKALMNAFAAH
SCHEMBL13659026 0.84 DGKA (0.55) TSHRHPGDDGKALMNAFAAH
SCHEMBL7774719 0.83 TSHR (0.50) TSHRHPGDDGKALMNAFAAH
SCHEMBL1439008 0.83 MGAM (0.45) TSHRHPGDALDH1A1GAASMN1; SMN2
SCHEMBL11341423 0.81 DGKA (0.52) TSHRDGKALMNAFAAHATM
SCHEMBL10351184 0.81 DGKA (0.52) DGKALMNAFAAHATMDNM1
SCHEMBL16079775 0.80 DGKA (0.55) DGKALMNAFAAHDNM1NAAA
Acetic Acid Butyl Ester SCHEMBL28761334 0.78 ALDH1A1 (0.64) TSHRHPGDLMNAFAAHATM
SCHEMBL23910550 0.78 DGKA (0.48) DGKALMNAFAAHATMDNM1

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