SCHEMBL28563286

SCHEMBL28563286

CCCCCCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC)cc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.63
ALDH1A1 P00352 4/20 0.63
LMNA P02545 2/20 0.63
MAPK1 P28482 3/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60
NPC1 O15118 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
ESR1 P03372 4/20 0.55
AKR1C4 P17516 1/20 0.55
AKR1C3 P42330 1/20 0.55
AKR1C2 P52895 1/20 0.55
AKR1C1 Q04828 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL27892866 1.00 TSHR (0.63) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL29171178 1.00 TSHR (0.63) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL27705282 1.00 TSHR (0.63) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL30326204 1.00 TSHR (0.63) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL28550408 1.00 TSHR (0.63) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL28868188 1.00 TSHR (0.63) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL10425325 1.00 TSHR (0.63) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL29582230 1.00 TSHR (0.63) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL28917298 1.00 TSHR (0.63) TSHRALDH1A1LMNAMAPK1TP53
SCHEMBL27382105 1.00 TSHR (0.63) TSHRALDH1A1LMNAMAPK1TP53

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
CN-113874417-A Three-dimensional printing 惠普发展公司,有限责任合伙企业 2021-12-31 CN claimed
CN-113874417-A Three-dimensional printing 惠普发展公司,有限责任合伙企业 2021-12-31 CN disclosed
CN-108602267-B Material group 惠普发展公司,有限责任合伙企业 2021-05-28 CN disclosed