SCHEMBL9869925

SCHEMBL9869925

C1CCC2CCCCC2C1.C1CCC2CCCCC2C1.C1CCC2CCCCC2C1.C1CCC2CCCCC2C1.C1CCC2CCCCC2C1.C1CCC2CCCCC2C1.C1CCC2CCCCC2C1.C1CCC2CCCCC2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
SLC18A3 Q16572 2/20 0.35
HSD17B10 Q99714 1/20 0.33
NOS3 P29474 3/20 0.32
NOS1 P29475 3/20 0.32
NOS2 P35228 3/20 0.32
HSD11B1 P28845 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
SCHEMBL22724 1.00 ALDH1A1 (1.00) ALDH1A1THRBMEN1KMT2ATSHR
SCHEMBL11230 1.00 ALDH1A1 (1.00) ALDH1A1THRBMEN1KMT2ATSHR
SCHEMBL5497317 1.00 ALDH1A1 (1.00) ALDH1A1THRBMEN1KMT2ATSHR
SCHEMBL2074366 1.00 ALDH1A1 (1.00) ALDH1A1THRBMEN1KMT2ATSHR
SCHEMBL308940 1.00 ALDH1A1 (1.00) ALDH1A1THRBMEN1KMT2ATSHR
SCHEMBL296805 1.00 ALDH1A1 (1.00) ALDH1A1THRBMEN1KMT2ATSHR
SCHEMBL5498032 1.00 ALDH1A1 (1.00) ALDH1A1THRBMEN1KMT2ATSHR
SCHEMBL10943225 1.00 ALDH1A1 (1.00) ALDH1A1THRBMEN1KMT2ATSHR
SCHEMBL307406 1.00 ALDH1A1 (1.00) ALDH1A1THRBMEN1KMT2ATSHR
SCHEMBL9870407 1.00 ALDH1A1 (1.00) ALDH1A1THRBMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026941-A Catalytic alkylation of naphthalene and/or 2-isopropyl-naphthalene in the presence of a saturated polycarbocyclic compound to yield 2,6- and 2,7-diisopropylnaphthalene TOSHO CORPORATION (JP) 1991-06-25 US disclosed