SCHEMBL9599135

SCHEMBL9599135

C=CCOc1c(C=O)cccc1OCc1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CAPN1 P07384 1/20 0.41
PTGER3 P43115 1/20 0.40
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.38
BCHE P06276 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
S1PR5 Q9H228 1/20 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
SCHEMBL9597698 0.84 RAB9A (0.52) RAB9AL3MBTL1KMT2ATDP1CAPN1
SCHEMBL3944635 0.80 HPGD (0.49) RAB9AKMT2ATLR2KDM4EPOLB
SCHEMBL9599183 0.79 RAB9A (0.55) RAB9AL3MBTL1KMT2ATDP1CAPN1
SCHEMBL16161550 0.75 SMN1; SMN2 (0.49) RAB9AL3MBTL1TLR2KDM4EPOLB
SCHEMBL13460592 0.75 RAB9A (0.50) RAB9AL3MBTL1KMT2ATDP1CAPN1
SCHEMBL14172740 0.74 KDM4E (0.60) RAB9AKMT2ATLR2KDM4EPOLB
SCHEMBL1050281 0.73 CCNB2 (0.59) RAB9AL3MBTL1KMT2ATDP1PTGER3
SCHEMBL11452343 0.72 CCNB2 (0.59) RAB9AL3MBTL1KMT2ATDP1PTGER3
SCHEMBL31307781 0.72 KMT2A (0.56) RAB9AL3MBTL1KMT2ATDP1PTGER3
SCHEMBL26731689 0.71 CA1 (0.50) RAB9ATLR2KDM4EPOLBSMN1; SMN2

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
US-5196422-A Antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-03-23 US disclosed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 US disclosed