SCHEMBL9772489

SCHEMBL9772489

O=C(CCCc1ccccc1)NCCn1cccc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
TSHR P16473 3/20 0.60
HPGD P15428 3/20 0.60
LMNA P02545 2/20 0.59
PKM P14618 1/20 0.59
HSD17B10 Q99714 1/20 0.57
HDAC1 Q13547 4/20 0.56
HDAC3 O15379 3/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
NCOR2 Q9Y618 2/20 0.56
HDAC4 P56524 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
TRPV1 Q8NER1 2/20 0.56
HDAC5 Q9UQL6 1/20 0.55
GAA P10253 1/20 0.53

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
SCHEMBL9772582 0.91 TSHR (0.63) L3MBTL1TSHRHPGDLMNAHSD17B10
SCHEMBL7201053 0.82 L3MBTL1 (0.89) L3MBTL1TSHRHPGDLMNAPKM
SCHEMBL13073412 0.82 HDAC3 (0.78) L3MBTL1TSHRHPGDLMNAPKM
SCHEMBL3393624 0.80 LMNA (0.77) L3MBTL1TSHRHPGDLMNAPKM
SCHEMBL26393842 0.80 L3MBTL1 (0.72) L3MBTL1TSHRHPGDLMNAPKM
SCHEMBL16610100 0.79 TSHR (0.53) L3MBTL1TSHRHPGDHSD17B10GAA
SCHEMBL1928392 0.78 LMNA (0.70) L3MBTL1TSHRHPGDLMNAPKM
SCHEMBL19185401 0.78 L3MBTL1 (0.70) L3MBTL1TSHRHPGDLMNAPKM
SCHEMBL17117356 0.78 HDAC1 (0.79) L3MBTL1TSHRLMNAPKMHDAC1
SCHEMBL4074353 0.77 HDAC3 (0.87) L3MBTL1TSHRHPGDLMNAPKM

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-5041442-A Antiulcer agents SYNTEX (U.S.A.) INC. (US) 1991-08-20 US disclosed