SCHEMBL29076804

SCHEMBL29076804

C=CCCCCCCCCCCCC(CCCCCCCCC)N(C)C

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
ALDH1A1 P00352 2/20 0.48
SPHK2 Q9NRA0 2/20 0.37
SPHK1 Q9NYA1 2/20 0.37
CETP P11597 1/20 0.37
CYP3A4 P08684 2/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLA2G2C Q5R387 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL876350 1.00 TSHR (0.61) TSHRALDH1A1SPHK2SPHK1CETP
SCHEMBL19895218 0.93 TSHR (0.53) TSHRALDH1A1SPHK2SPHK1CETP
SCHEMBL20197391 0.92 TSHR (0.50) TSHRALDH1A1SPHK2SPHK1CETP
SCHEMBL3116802 0.90 TSHR (0.46) TSHRALDH1A1CYP3A4USP2MAPT
SCHEMBL28977210 0.90 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDLMNA
SCHEMBL28977214 0.90 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDLMNA
SCHEMBL30274164 0.90 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDLMNA
SCHEMBL30274160 0.90 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDLMNA
SCHEMBL3107961 0.86 TSHR (0.46) TSHRALDH1A1CYP3A4USP2MAPT
SCHEMBL17047050 0.86 TSHR (0.44) TSHRALDH1A1SPHK2SPHK1CETP

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-117836002-A Hepatitis c virus immunogenic compositions and methods of use thereof 奥罗拉疫苗有限责任公司 2024-04-05 CN disclosed
CN-116802294-A Therapeutic agent for treating neurodegenerative disease UCL商业有限公司 2023-09-22 CN disclosed