SCHEMBL8984610

SCHEMBL8984610

O=C(CCCCCCCCCCBr)C1CCCCCCCCCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.44
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 1/20 0.34
GAA P10253 1/20 0.34
NAAA Q02083 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC1 Q13547 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
TLR4 O00206 1/20 0.31

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
SCHEMBL16291203 0.90 MCL1 (0.47) MCL1MAPK1KDM4EKMT2ANPC1
SCHEMBL7762851 0.83 NAAA (0.45) MCL1MAPK1NAAATLR4
SCHEMBL7757533 0.83 NAAA (0.45) MCL1MAPK1NAAATLR4
SCHEMBL9665167 0.83 NAAA (0.45) MCL1MAPK1NAAATLR4
SCHEMBL29191656 0.81 NAAA (0.42) MCL1MAPK1NPC1RAB9ANAAA
SCHEMBL28362680 0.80 MCL1 (0.40) MCL1MAPK1KDM4EKMT2ANPC1
SCHEMBL535448 0.79 LMNA (0.45) MCL1MAPK1KMT2ANPC1RAB9A
SCHEMBL7095347 0.79 LMNA (0.40) MCL1MAPK1KMT2ANAAAALDH1A1
SCHEMBL17849965 0.77 MCL1 (0.40) MCL1MAPK1KDM4EKMT2ANPC1
SCHEMBL10339687 0.77 MCL1 (0.49) MCL1MAPK1KDM4EKMT2ANPC1

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
EP-0711746-A1 Process for preparing hydroxycarboxylic acids UNILEVER PLC (GB) 1996-05-15 EP disclosed
US-5502226-A SELECTIVE REDUCTION OF DIKETONE TO KETO ACIDS USING HYDROGEN IN THE PRESENCE OF BASE ELIZABETH ARDEN CO., DIVISION OF CONOPCO, INC. (US) 1996-03-26 US disclosed