SCHEMBL7066644

SCHEMBL7066644

CCCCOC(=O)C1CCN1C(C)c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR1 P21554 2/20 0.41
CNR2 P34972 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
FKBP1A P62942 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL7066798 0.96 ALDH1A1 (0.39) ALDH1A1TDP1L3MBTL1CNR1CNR2
SCHEMBL7066156 0.89 MAPT (0.47) ALDH1A1RAB9ASMN1; SMN2MAPTTSHR
SCHEMBL7064487 0.85 FKBP1A (0.44) L3MBTL1CNR1CNR2FKBP1A
SCHEMBL7067156 0.84 FKBP1A (0.44) ALDH1A1L3MBTL1RAB9ANPC1HPGD
SCHEMBL7066175 0.83 ALDH1A1 (0.47) ALDH1A1CNR1CNR2RAB9ASMN1; SMN2
SCHEMBL6235377 0.83 ALDH1A1 (0.47) ALDH1A1CNR1CNR2RAB9ASMN1; SMN2
SCHEMBL6233904 0.83 ALDH1A1 (0.47) ALDH1A1CNR1CNR2RAB9ASMN1; SMN2
SCHEMBL7064598 0.82 FKBP1A (0.43) L3MBTL1CNR1CNR2CYP2C9CYP2C19
SCHEMBL7066253 0.82 ALDH1A1 (0.39) ALDH1A1CNR1CNR2RAB9AHPGD
SCHEMBL7066432 0.81 FKBP1A (0.43) ALDH1A1SMN1; SMN2FKBP1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827954-B1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL CO (JP) 2003-06-04 EP disclosed
US-6114543-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-09-05 US disclosed
US-5880291-A Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-03-09 US disclosed
EP-0827954-A1 Process for producing optically active azetidine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-03-11 EP disclosed