SCHEMBL9956080

SCHEMBL9956080

CC(C)([C]=O)CC1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
PKM P14618 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE8B O95263 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6985391 0.78 KMT2A (0.33) KMT2AHPGDHTTPKMALDH1A1
SCHEMBL7297402 0.71 SLC6A2 (0.36)
SCHEMBL2625532 0.71 KMT2A (0.37) KMT2AHPGDPKMALDH1A1LMNA
SCHEMBL2622404 0.71 KMT2A (0.37) KMT2AHPGDPKMALDH1A1LMNA
SCHEMBL329518 0.71 KMT2A (0.38) KMT2AHPGDPKMALDH1A1LMNA
SCHEMBL2625534 0.71 KMT2A (0.37) KMT2AHPGDPKMALDH1A1LMNA
SCHEMBL728160 0.71
SCHEMBL3199236 0.70
SCHEMBL8573737 0.70 KMT2A (0.33) KMT2AHPGDHTTALDH1A1LMNA
SCHEMBL98091 0.70 CYP1A2 (0.38) HPGDALDH1A1

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
EP-2635578-B1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES HENGRUI USA LTD (US) 2015-12-16 EP disclosed
EP-2635578-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES Hengrui (USA) Ltd. (US) 2013-09-11 EP disclosed
WO-2012088411-A1 2-ARYLIMIDAZO[1,2-B]PYRIDAZINE, 2-PHENYLIMIDAZO[1,2-A]PYRIDINE, AND 2-PHENYLIMIDAZO[1,2-A]PYRAZINE DERIVATIVES PAMLICO PHARMACEUTICAL INC. (US) 2012-06-28 WO disclosed