SCHEMBL8036616

SCHEMBL8036616

CCCCCOC(C)CCCC=Cc1ccc(-c2ccc(O)cn2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 1/20 0.35
STAT3 P40763 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
DEGS1 O15121 1/20 0.31
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CNR2 P34972 2/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30

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
SCHEMBL8036610 1.00 NPC1 (0.35) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8037010 0.96 RAB9A (0.36) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8037014 0.96 RAB9A (0.36) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8036687 0.95 NPC1 (0.36) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8036683 0.95 NPC1 (0.36) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8049476 0.93 RAB9A (0.39) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8049481 0.93 RAB9A (0.39) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8051602 0.89 NPC1 (0.32) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL8051606 0.89 NPC1 (0.32) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL8051117 0.89 ESR1 (0.32) NPC1RAB9AESR1ESR2

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
EP-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed