SCHEMBL8910223

SCHEMBL8910223

CCC(Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
FAAH O00519 2/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPK1 P28482 2/20 0.50
PKM P14618 1/20 0.50
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL8029589 0.91 TSHR (0.61) KMT2AMEN1ALDH1A1SMN1; SMN2FAAH
Hydrochloric Acid SCHEMBL8887455 0.90 TSHR (0.60) KMT2AMEN1ALDH1A1SMN1; SMN2FAAH
SCHEMBL8033255 0.89 SMN1; SMN2 (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2FAAH
SCHEMBL8020104 0.88 LMNA (0.59) KMT2AMEN1ALDH1A1SMN1; SMN2FAAH
SCHEMBL8035741 0.88 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2FAAH
SCHEMBL8033227 0.83 ALDH1A1 (0.59) KMT2AALDH1A1SMN1; SMN2FAAHTSHR
SCHEMBL8033220 0.81 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2FAAH
SCHEMBL8035824 0.81 SMN1; SMN2 (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2FAAH
SCHEMBL8031495 0.81 MEN1 (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2FAAH
SCHEMBL8020002 0.80 SMN1; SMN2 (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2FAAH

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-5668138-A AFFINITY FOR SIGMA RECEPTORS, CENTRAL NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1997-09-16 US disclosed