SCHEMBL9601225

SCHEMBL9601225

C=CC(=O)Oc1c(OCC)cccc1C(CC)c1cccc(OCC)c1OC(=O)C=C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.41
THRA P10827 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
GLA P06280 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HCRTR1 O43613 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
TTR P02766 1/20 0.36

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
SCHEMBL10576489 0.89 THRB (0.44) THRBTHRAL3MBTL1GLANPC1
SCHEMBL9761703 0.83 THRB (0.43) THRBTHRANPC1RAB9ASMN1; SMN2
SCHEMBL28224414 0.83 THRB (0.40) THRBTHRAL3MBTL1SMN1; SMN2KMT2A
SCHEMBL27368123 0.82 KCNK3 (0.45) THRBTHRAL3MBTL1GLANPC1
SCHEMBL28297685 0.81 THRB (0.52) THRBTHRAL3MBTL1GLAKMT2A
SCHEMBL28085570 0.81 THRB (0.49) THRBTHRAL3MBTL1GLANPC1
SCHEMBL29636328 0.81 THRB (0.49) THRBTHRAL3MBTL1GLANPC1
SCHEMBL28889861 0.81 THRB (0.40) THRBTHRAL3MBTL1GLANPC1
Propane SCHEMBL27699149 0.80 THRB (0.48) THRBTHRAL3MBTL1GLANPC1
SCHEMBL5178022 0.80 THRB (0.39) THRBTHRAL3MBTL1GLASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0305545-B1 SUBSTITUTED ACRIDINE DERIVATIVES AND THEIR USE Hitachi Chemical Co., Ltd. (JP) 1993-02-10 EP disclosed
US-5089377-A Acridin-9-yl acrylates ASAHI DENKA KOGYO K.K. (JP) 1992-02-18 US disclosed
US-5045433-A Photopolymerization initiators HITACHI CHEMICAL CO., LTD. (JP) 1991-09-03 US disclosed
US-4985564-A Acridine compound and photopolymerizable composition using the same HITACHI CHEMICAL CO., LTD. (JP) 1991-01-15 US disclosed
EP-0305545-A1 SUBSTITUTED ACRIDINE DERIVATIVES AND THEIR USE Hitachi Chemical Co., Ltd. (JP) 1989-03-08 EP disclosed