SCHEMBL8970691

SCHEMBL8970691

CCCC(C)Oc1ccc(C=COC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ALDH1A3 P47895 1/20 0.36
AHR P35869 2/20 0.36
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ESR1 P03372 2/20 0.34
RELA Q04206 2/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33

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
SCHEMBL8970685 1.00 TAS1R3 (0.40) TAS1R3TAS1R1HDAC1HDAC2HDAC8
SCHEMBL7789912 0.79 ALDH1A3 (0.57) ALDH1A3AHRLMNATP53CYP3A4
SCHEMBL7789915 0.79 ALDH1A3 (0.57) ALDH1A3AHRLMNATP53CYP3A4
SCHEMBL11789545 0.78 ALDH1A3 (0.61) TAS1R3TAS1R1ALDH1A3LMNAKDM4E
SCHEMBL18323986 0.78 ALDH1A3 (0.39) TAS1R3TAS1R1HDAC1HDAC2HDAC8
SCHEMBL8970741 0.78 ALDH1A3 (0.61) TAS1R3TAS1R1ALDH1A3LMNAKDM4E
SCHEMBL3032255 0.78 TAS1R3 (0.43) TAS1R3TAS1R1HDAC1HDAC2HDAC8
SCHEMBL8072186 0.77 THRB (0.55) TAS1R3TAS1R1HDAC1HDAC2HDAC8
SCHEMBL8072187 0.77 THRB (0.55) TAS1R3TAS1R1HDAC1HDAC2HDAC8
SCHEMBL3124727 0.74 DRD1 (0.50) ALDH1A3AHRLMNATP53CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493601-B1 LIQUID-CRYSTAL COPOLYMER, PRODUCTION THEREOF, DIENE COMPOUND USED IN SAID PRODUCTION, AND PRODUCTION OF SAID COMPOUND IDEMITSU KOSAN CO (JP) 1996-03-20 EP disclosed
US-5425897-A Electrooptics IDEMITSU KOSAN CO., LTD. (JP) 1995-06-20 US disclosed
US-5380915-A Copolymers of polydimethylsiloxane with diene ethers IDEMITSU KOSAN CO., LTD. (JP) 1995-01-10 US disclosed
US-5281685-A Polyether pendant groups, polysiloxane repeating units IDEMITSU KOSAN CO., LTD. (JP) 1994-01-25 US disclosed
EP-0493601-A1 LIQUID-CRYSTAL COPOLYMER, PRODUCTION THEREOF, DIENE COMPOUND USED IN SAID PRODUCTION, AND PRODUCTION OF SAID COMPOUND IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-07-08 EP disclosed