SCHEMBL9681006

SCHEMBL9681006

C=CC(=O)Oc1ccc(C(=O)C2(N3CCOCC3)CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 5/20 0.38
USP2 O75604 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL9681734 0.84 CYP3A4 (0.54) KMT2AALDH1A1MAPTLMNAKDM4E
SCHEMBL10456871 0.82 CYP3A4 (0.55) KMT2AALDH1A1MAPTLMNAKDM4E
SCHEMBL10458478 0.80 FKBP1A (0.51) KMT2AALDH1A1MAPTLMNAKDM4E
SCHEMBL10458636 0.79 THRB (0.44) KMT2AALDH1A1MAPTLMNAKDM4E
SCHEMBL12855171 0.79 THRB (0.44) KMT2AALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL10458820 0.79 HRH3 (0.46) KMT2AALDH1A1MAPTLMNAKDM4E
SCHEMBL12013268 0.78 LMNA (0.43) ALDH1A1MAPTLMNAKDM4ECYP3A4
SCHEMBL9680457 0.78 GSK3B (0.49) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL10458802 0.78 ATM (0.43) KMT2AALDH1A1MAPTLMNAKDM4E
SCHEMBL18883176 0.78 CYP3A4 (0.48) KMT2AALDH1A1MAPTLMNAKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed