SCHEMBL27865159

SCHEMBL27865159

CC(=O)CC(=O)OCC(c1ccccc1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ TSHR P16473 3/20 0.45
▸ SLC6A3 Q01959 5/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44

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
SCHEMBL11548405 0.86 KMT2A (0.55) KMT2AMEN1TSHRSLC6A3CYP3A4
SCHEMBL27482765 0.85 MEN1 (0.50) KMT2AMEN1TSHRSLC6A3CYP3A4
SCHEMBL27797853 0.78 KMT2A (0.58) KMT2AMEN1TSHRCYP3A4LMNA
SCHEMBL7098397 0.77 KMT2A (0.56) KMT2AMEN1CYP3A4LMNAPKM
SCHEMBL27407428 0.77 TSHR (0.50) KMT2AMEN1TSHRSLC6A3CYP3A4
SCHEMBL5413373 0.77 CA12 (0.47) KMT2ATSHRCHRM2CHRM1LMNA
SCHEMBL27661415 0.76 PKM (0.57) KMT2AMEN1TSHRSLC6A3CYP3A4
SCHEMBL29706736 0.76 MEN1 (0.52) KMT2AMEN1TSHRSLC6A3CYP3A4
SCHEMBL11747029 0.74 KMT2A (0.44) KMT2ATSHRCYP3A4CYP1A2CYP2D6
SCHEMBL10926020 0.74 ALDH1A1 (0.52) KMT2AMEN1TSHRCYP3A4CHRM2

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
CN-102421411-A Method for treating overactive bladder and device for storing and administering oxybutynin topical composition WATSON LAB INC 2012-04-18 — — CN disclosed
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