SCHEMBL7534063

SCHEMBL7534063

O=C(O)c1cccc(Cl)c1C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 1/20 0.48
KMO O15229 1/20 0.45
HPGD P15428 2/20 0.44
ACMSD Q8TDX5 2/20 0.44
RAB9A P51151 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
SERPINE1 P05121 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
NPC1 O15118 1/20 0.41
P2RX7 Q99572 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40
TP53 P04637 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40

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
SCHEMBL29615959 0.91 TSHR (0.55) TSHRALDH1A1HPGDRAB9ASLC6A2
SCHEMBL4827205 0.88 KMO (0.51) TSHRALDH1A1KMOACMSDRAB9A
SCHEMBL6138696 0.83 KMO (0.45) TSHRALDH1A1KMOACMSDTDP1
SCHEMBL28140772 0.81 KMO (0.46) ALDH1A1KMOACMSDTDP1SERPINE1
SCHEMBL9508386 0.81 KMO (0.46) ALDH1A1KMOACMSDTDP1SERPINE1
SCHEMBL18304683 0.80 CXCR5 (0.55) ALDH1A1KMOHPGDACMSDRAB9A
SCHEMBL18091802 0.80 KMO (0.45) ALDH1A1KMOACMSDTDP1SERPINE1
SCHEMBL18304680 0.80 CXCR5 (0.55) ALDH1A1KMOHPGDACMSDRAB9A
SCHEMBL812111 0.80 ACMSD (0.53) KMOACMSDRAB9ATDP1SERPINE1
SCHEMBL10693537 0.80 SMN1; SMN2 (0.47) ALDH1A1KMOHPGDSMN1; SMN2TP53

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-1192196-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2002-04-03 EP disclosed
EP-1159315-A1 PROCESS FOR PRODUCING POLYETHYLENE EASTMAN CHEMICAL COMPANY (US) 2001-12-05 EP disclosed
WO-2000075204-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
WO-2000052068-A1 PROCESS FOR PRODUCING POLYETHYLENE EASTMAN CHEMICAL COMPANY (US) 2000-09-08 WO disclosed