SCHEMBL8239093

SCHEMBL8239093

C=CCc1ccc(-c2ccc(-c3ccc(/C=C/CCCC(C)OCCCCC)c(F)c3F)cn2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.34
NPC1 O15118 6/20 0.34
SMN1; SMN2 Q16637 6/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 4/20 0.34
MAPT P10636 3/20 0.34
CASP3 P42574 2/20 0.34
SENP8 Q96LD8 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP6 Q9GZR1 2/20 0.34
STAT3 P40763 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
MAPK1 P28482 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
SCHEMBL8239100 1.00 RAB9A (0.34) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL8047709 0.95 RAB9A (0.35) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL8047704 0.95 RAB9A (0.35) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL8047732 0.94 CNR2 (0.33) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL8047736 0.94 CNR2 (0.33) RAB9AMAPTCASP3SENP8SENP7
SCHEMBL8051221 0.91 CNR2 (0.33) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL8051227 0.91 CNR2 (0.33) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL8036624 0.91 CNR2 (0.32) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL8036614 0.91 CNR2 (0.32) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL8051219 0.91 CNR2 (0.35) ALDH1A1CNR2CNR1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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