SCHEMBL7175256

SCHEMBL7175256

C#CC1(CNCCCCC)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
EPHX1 P07099 2/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
NAAA Q02083 1/20 0.30
LMNA P02545 1/20 0.30
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30
S1PR2 O95136 5/20 0.30
S1PR4 O95977 5/20 0.30
S1PR1 P21453 5/20 0.30
S1PR3 Q99500 5/20 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
SCHEMBL4747450 0.69 TSHR (0.59) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL9294072 0.66
SCHEMBL902356 0.65
Cyclopropane SCHEMBL5981815 0.64 TSHR (0.77) TSHRALDH1A1EPHX1ADH1BADH1C
Hydrochloric Acid SCHEMBL8619211 0.63 SAT1 (0.60) TSHRALDH1A1EPHX1ADH1BADH1C
Ammonia Solution, Strong SCHEMBL29003562 0.63 SAT1 (0.60) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL9348906 0.63 SAT1 (0.60) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL333304 0.63 SAT1 (0.60) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL4424094 0.63 SAT1 (0.60) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL6832121 0.63 SAT1 (0.60) TSHRALDH1A1EPHX1ADH1BADH1C

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
EP-1334094-A1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-13 EP disclosed
WO-2002036584-A1 CHOLESTEROL LOWERING BENZO`B! THIOPHENES AND BENZO`D! ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-10 WO disclosed