SCHEMBL7084583

SCHEMBL7084583

CCCCCCCCCCCCc1c(C=O)sc(C=O)c1CCCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
TSHR P16473 1/20 0.38
GPR35 Q9HC97 5/20 0.37
TYMP P19971 3/20 0.37
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 1/20 0.35
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
FAAH O00519 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL6663031 1.00 HIF1A (0.41) HIF1AEPAS1TSHRGPR35TYMP
SCHEMBL28163085 1.00 HIF1A (0.41) HIF1AEPAS1TSHRGPR35TYMP
SCHEMBL8059178 0.79 GPR35 (0.32) GPR35
SCHEMBL27649443 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15042537 0.76 GPR35 (0.61) HIF1AEPAS1TSHRGPR35ALDH1A1
SCHEMBL12489585 0.76 GPR35 (0.46) HIF1AEPAS1GPR35
SCHEMBL28321573 0.76 GPR35 (0.49) HIF1AEPAS1TSHRGPR35TYMP
SCHEMBL10769977 0.75 CNR2 (0.42) TSHRALDH1A1FAAH
SCHEMBL22342650 0.74 HIF1A (0.38) HIF1AEPAS1GPR84
SCHEMBL10716857 0.74 HIF1A (0.43) HIF1AEPAS1TSHRTYMPALDH1A1

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-20030213941-A1 Optical waveguides based on NLO polymers PIRELLI S.P.A. (IT) 2003-11-20 US disclosed
EP-1340793-A1 Optical waveguides based on NLO polymers PIRELLI S.p.A. (IT) 2003-09-03 EP disclosed