SCHEMBL7105360

SCHEMBL7105360

N#CC(=Cc1ccccc1)C(=O)OC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
MCL1 Q07820 1/20 0.51
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KMT2A Q03164 5/20 0.45
PKM P14618 2/20 0.45
ATM Q13315 1/20 0.45
PLIN1 O60240 1/20 0.44
PLIN5 Q00G26 1/20 0.44
ABHD5 Q8WTS1 1/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43

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
SCHEMBL7105357 1.00 ALDH1A1 (0.52) ALDH1A1MCL1MAPTLMNANPSR1
SCHEMBL13299640 0.82 MEN1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL15082647 0.82 EGFR (0.63) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL1996947 0.80 AKR1C3 (0.51) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL18060122 0.78 KMT2A (0.58) ALDH1A1MCL1MAPTLMNANPSR1
SCHEMBL18060121 0.78 KMT2A (0.58) ALDH1A1MCL1MAPTLMNANPSR1
SCHEMBL4892047 0.77 EPHX1 (0.41) ALDH1A1MAPTLMNANPSR1KDM4E
SCHEMBL18060264 0.77 KMT2A (0.59) ALDH1A1MCL1MAPTLMNANPSR1
SCHEMBL18060263 0.77 KMT2A (0.59) ALDH1A1MCL1MAPTLMNANPSR1
SCHEMBL28112585 0.76 FABP7 (0.42) ALDH1A1MAPTLMNAKMT2AATM

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-1185537-B1 BENZYLIDENECYANOACETATES AND A METHOD FOR MAKING BENZYLIDENECYANOACETATES LORD CORP (US) 2003-10-01 EP disclosed
EP-1185537-A1 BENZYLIDENECYANOACETATES AND A METHOD FOR MAKING BENZYLIDENECYANOACETATES Lord Corporation (US) 2002-03-13 EP disclosed
WO-2001018009-A2 BENZYLIDENECYANOACETATES AND A METHOD FOR MAKING BENZYLIDENECYANOACETATES LORD CORPORATION (US) 2001-03-15 WO disclosed
US-6180813-B1 COMPOUNDS WHICH ARE LIQUID AT ROOM TEMPERATURE, HAVE LOW VOLATILITY AND ARE ODOR FREE; USEFUL IN FORMULATING ADHESIVES AND COATINGS LORD CORPORATION 2001-01-30 US disclosed