SCHEMBL21154074

SCHEMBL21154074

Oc1ccccc1CCc1ccco1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
HSPA5 P11021 1/20 0.45
MPO P05164 3/20 0.43
TSHR P16473 2/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
HTR1A P08908 1/20 0.41
SLC6A4 P31645 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AKR1B1 P15121 1/20 0.39

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
SCHEMBL11131843 0.82 HSPA5 (0.58) HTR2BTAAR1HSPA5TSHRCYP2D6
SCHEMBL1845768 0.80 TYR (0.62) HTR2BTSHRMEN1KMT2ACYP3A4
SCHEMBL30576428 0.80 TYR (0.62) HTR2BTSHRMEN1KMT2ACYP3A4
SCHEMBL1222973 0.78 TAAR1 (0.71) TAAR1HSPA5MPOTSHRCYP2D6
SCHEMBL8146532 0.78 ALDH1A1 (0.54) HTR2BTSHRCYP2D6ALDH1A1MEN1
SCHEMBL29706272 0.78 TAAR1 (0.71) TAAR1HSPA5MPOTSHRCYP2D6
SCHEMBL11629972 0.78 HSPA5 (0.52) HTR2BTAAR1HSPA5TSHRCYP2D6
SCHEMBL21622790 0.77 MEN1 (0.54) TAAR1TSHRALDH1A1MEN1KMT2A
SCHEMBL22443868 0.77 TSHR (0.66) MPOTSHRCYP2D6HIF1ASLC6A4
SCHEMBL11717208 0.77 IDO1 (0.47) HSPA5TSHRCYP2D6HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3542780-B1 SERIES OF SKIN-WHITENING (LIGHTENING) COMPOUNDS UNIGEN INC (US) 2022-01-19 EP disclosed
EP-3542780-A1 SERIES OF SKIN-WHITENING (LIGHTENING) COMPOUNDS Unigen, Inc. (US) 2019-09-25 EP disclosed
EP-2323612-B1 SERIES OF SKIN-WHITENING (LIGHTENING) COMPOUNDS UNIGEN INC (US) 2019-07-10 EP disclosed