SCHEMBL9469397

SCHEMBL9469397

O=C(O)CCCOc1ccccc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
FABP3 P05413 1/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
HTR7 P34969 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 2/20 0.49
FFAR4 Q5NUL3 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GRM4 Q14833 1/20 0.47

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
SCHEMBL2728131 0.91 LMNA (0.64) RAB9ANPC1KDM4EALDH1A1FABP3
SCHEMBL452884 0.83 KDM4E (0.53) RAB9ANPC1KDM4EALDH1A1FABP3
SCHEMBL8149988 0.81 LMNA (0.61) ALDH1A1FABP3LMNATSHRFFAR4
SCHEMBL8164009 0.81 LMNA (0.61) ALDH1A1FABP3LMNATSHRFFAR4
SCHEMBL8157470 0.81 LMNA (0.61) ALDH1A1FABP3LMNATSHRFFAR4
SCHEMBL8158463 0.81 LMNA (0.61) ALDH1A1FABP3LMNATSHRFFAR4
SCHEMBL8162827 0.81 LMNA (0.61) ALDH1A1FABP3LMNATSHRFFAR4
SCHEMBL8162521 0.81 LMNA (0.61) ALDH1A1FABP3LMNATSHRFFAR4
SCHEMBL8148979 0.81 LMNA (0.61) ALDH1A1FABP3LMNATSHRFFAR4
SCHEMBL8162369 0.81 LMNA (0.61) ALDH1A1FABP3LMNATSHRFFAR4

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-5183925-A LEUKOTRIENE-B4 DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-02-02 US disclosed
EP-0109225-B1 ARACHIDONIC ACID ANALOGUES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN MEDICINE BEECHAM GROUP PLC (GB) 1985-08-28 EP disclosed
EP-0109225-A1 Arachidonic acid analogues, processes for their preparation and their use in medicine BEECHAM GROUP PLC (GB) 1984-05-23 EP disclosed