SCHEMBL7972376

SCHEMBL7972376

CCCCCOC(=O)N1C(c2ccco2)C(C(=O)O)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
POLB P06746 3/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CREBBP Q92793 1/20 0.40
ADORA2B P29275 7/20 0.38
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 3/20 0.36
PPARG P37231 3/20 0.35
APEX1 P27695 1/20 0.35
ESR2 Q92731 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADORA2A P29274 1/20 0.35
MEN1 O00255 1/20 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
SCHEMBL2339025 0.81 PPARG (0.41) TSHRPOLBALDH1A1L3MBTL1GAA
SCHEMBL8832441 0.67 LMNA (0.36) TSHRPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL5708115 0.66 NPC1 (0.37) TSHRALDH1A1KDM4ECYP3A4
SCHEMBL15156783 0.65 LMNA (0.38) TSHRPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL6861442 0.65 ADORA2B (0.40) TSHRPOLBALDH1A1L3MBTL1GAA
SCHEMBL6861438 0.65 ADORA2B (0.40) TSHRPOLBALDH1A1L3MBTL1GAA
SCHEMBL6861435 0.65 ADORA2B (0.40) TSHRPOLBALDH1A1L3MBTL1GAA
SCHEMBL15156859 0.64 LMNA (0.38) TSHRPOLBALDH1A1L3MBTL1LMNA
SCHEMBL27396671 0.64 KDM4E (0.77) POLBALDH1A1L3MBTL1ADORA2BNPSR1
SCHEMBL12164742 0.62 SPHK1 (0.47) TSHRPOLBALDH1A1L3MBTL1LMNA

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
US-6268381-B1 Taxane derivatives KABUSHIKI KAISHA YAKULT HONSHA (JP) 2001-07-31 US disclosed