SCHEMBL11616670

SCHEMBL11616670

CCCCc1cc(N)cc(CCCC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SKP2 Q13309 1/20 0.50
PTGS2 P35354 3/20 0.46
CYP3A4 P08684 1/20 0.46
GPR84 Q9NQS5 3/20 0.45
CA2 P00918 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CA1 P00915 2/20 0.40
CA9 Q16790 1/20 0.40
HTR2A P28223 1/20 0.40
NOS2 P35228 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL10492558 0.95 HPGD (0.50) HPGDRAB9ANPC1MAPK1HTT
SCHEMBL7895255 0.93 PTGS2 (0.56) HPGDRAB9ANPC1MAPK1HTT
SCHEMBL15804002 0.91 PTGS2 (0.57) HPGDRAB9APTGS2CYP3A4GPR84
SCHEMBL9168375 0.91 PTGS2 (0.57) HPGDRAB9APTGS2CYP3A4GPR84
SCHEMBL9170666 0.91 PTGS2 (0.57) HPGDRAB9APTGS2CYP3A4GPR84
SCHEMBL28579097 0.88 PTGS2 (0.56) HPGDRAB9ANPC1MAPK1HTT
SCHEMBL840688 0.87 PTGS2 (0.50) HPGDRAB9ANPC1MAPK1HTT
SCHEMBL2002090 0.87 HPGD (0.61) HPGDRAB9ANPC1MAPK1HTT
SCHEMBL6681772 0.86 PTGS2 (0.57) HPGDRAB9APTGS2CYP3A4GPR84
SCHEMBL10492707 0.86 PTGS2 (0.57) HPGDRAB9APTGS2CYP3A4GPR84

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-4112100-A INCREASING THE ENDOGENOUS PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 US disclosed
US-4001256-A PROSTAGLANDIN PRODUCTION IN MAMMALS THE UPJOHN COMPANY (US) 1977-01-04 US disclosed