SCHEMBL8911623

SCHEMBL8911623

Cc1ccc(N2CCC(=O)CC2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 2/20 0.45
METAP2 P50579 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
ALDH3A1 P30838 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
RAD52 P43351 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTR3A P46098 1/20 0.40
POLB P06746 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL7284283 0.81 AKR1C3 (0.50) ALDH1A3ALDH1A1KMT2AALDH3A1MEN1
SCHEMBL12908043 0.81 ALDH1A1 (0.58) ALDH1A3ALDH1A1KMT2AMEN1MAPT
SCHEMBL13419298 0.81 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTHTTSRD5A1
SCHEMBL13419187 0.79 ALDH1A1 (0.61) ALDH1A3ALDH1A1KMT2AMEN1MAPT
SCHEMBL17543923 0.79 CHRM1 (0.49) ALDH1A3ALDH1A1KMT2AALDH3A1MEN1
SCHEMBL45211 0.79 LMNA (0.39) ALDH1A3ALDH1A1KMT2AMEN1MAPT
SCHEMBL7711149 0.78 LMNA (0.43) ALDH1A1
SCHEMBL17542897 0.78 ALDH1A1 (0.44) ALDH1A3ALDH1A1KMT2AALDH3A1MEN1
SCHEMBL16440154 0.78 ALDH1A1 (0.48) ALDH1A3ALDH1A1KMT2AMEN1MAPT
SCHEMBL17543217 0.78 ALDH1A3 (0.42) ALDH1A3ALDH1A1KMT2AALDH3A1MEN1

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
US-5625046-A Hydroxyl projecting groups for organic synthesis KING'S COLLEGE LONDON (GB) 1997-04-29 US disclosed
US-5436331-A Etherification with N-aryl-4-alkoxy-1,2,5,6-tetrahydropyidine KINGS COLLEGE LONDON (GB) 1995-07-25 US disclosed
EP-0298982-B1 PROTECTING GROUPS FOR ORGANIC SYNTHESIS KING'S COLLEGE LONDON (GB) 1991-08-28 EP disclosed