SCHEMBL28022595

SCHEMBL28022595

CCCCc1ccccc1-c1cccc(C=O)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
THRB P10828 2/20 0.35
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KCNJ1 P48048 1/20 0.35
BID P55957 5/20 0.35
BCL2L1 Q07817 5/20 0.35
MCL1 Q07820 5/20 0.35

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
SCHEMBL2179847 0.87 LIPG (0.42) NR1H2NR1H3LIPGALDH1A1TSHR
SCHEMBL28323985 0.85 LIPG (0.40) LIPGALDH1A1TSHRCYP3A4CYP2D6
SCHEMBL1666338 0.85 NR1H2 (0.38) NR1H2NR1H3LIPGALDH1A1TSHR
SCHEMBL9800774 0.83 NR1H2 (0.39) NR1H2NR1H3LIPGALDH1A1TSHR
SCHEMBL1666533 0.81 LIPG (0.44) NR1H2NR1H3LIPGTHRBELANE
SCHEMBL266417 0.80 LIPG (0.47) NR1H2NR1H3LIPGALDH1A1TSHR
SCHEMBL1666965 0.79 LIPG (0.46) NR1H2NR1H3LIPGTHRBELANE
SCHEMBL1666385 0.79 LIPG (0.46) NR1H2NR1H3LIPGTHRBELANE
SCHEMBL1666682 0.79 LIPG (0.46) NR1H2NR1H3LIPGTHRBELANE
SCHEMBL1666919 0.79 LIPG (0.46) NR1H2NR1H3LIPGTHRBELANE

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
CN-105496904-A Toning lotion for hypersensitive skin WANG JINGYI 2016-04-20 CN disclosed
CN-104887590-A Deep cleansing cream ZHOU DONG 2015-09-09 CN disclosed