SCHEMBL28977802

SCHEMBL28977802

C=C(Cl)CCCCCCCCCC(=O)Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.56
ALDH1A1 P00352 5/20 0.56
TP53 P04637 1/20 0.48
LMNA P02545 3/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
GPR84 Q9NQS5 7/20 0.36
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
ABCC4 O15439 1/20 0.36
MAPT P10636 1/20 0.36
PPARG P37231 6/20 0.35
PPARD Q03181 6/20 0.35
PPARA Q07869 6/20 0.35
HDAC11 Q96DB2 5/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 2/20 0.35
FABP4 P15090 2/20 0.35
ALOX15 P16050 2/20 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
SCHEMBL13405748 0.97 TSHR (0.52) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL7329781 0.85 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL2154590 0.85 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL495403 0.85 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL2154041 0.85 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL466419 0.85 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL495310 0.85 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL2154814 0.85 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL496221 0.85 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL494288 0.85 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1

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
CN-115894873-A Polymer with HLCT (high-intensity-scanning-Current computed tomography) property, preparation method and application thereof, organic light-emitting diode and display panel 中国科学院宁波材料技术与工程研究所 2023-04-04 CN disclosed