SCHEMBL9502936

SCHEMBL9502936

CCCCC(F)COc1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.54
NR5A1 Q13285 1/20 0.54
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ESR1 P03372 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1H2 P55055 1/20 0.39
RNASEL Q05823 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8374339 0.94 NR5A1 (0.60) LTA4HNR5A1PTGS1SLC6A2ADRB3
SCHEMBL9049888 0.91 NR5A1 (0.53) LTA4HNR5A1PTGS1SLC6A2ABCG2
SCHEMBL9124494 0.90 NR5A1 (0.55) LTA4HNR5A1PTGS1SLC6A2ADRB3
SCHEMBL9124506 0.90 NR5A1 (0.55) LTA4HNR5A1PTGS1SLC6A2ADRB3
SCHEMBL8705469 0.83 KDM4E (0.52) LTA4HMAPK1KDM4ETDP1SMN1; SMN2
SCHEMBL9574328 0.81 PLA2G4B (0.60) MAPK1TSHRPLA2G4B
SCHEMBL7782844 0.81 LTA4H (0.56) LTA4HNR5A1PTGS1SLC6A2ABCG2
SCHEMBL7795401 0.81 RAB9A (0.47) LTA4HNR5A1KDM4EESR1CYP2D6
SCHEMBL2045373 0.80 LTA4H (0.54) LTA4HNR5A1PTGS1SLC6A2ABCG2
SCHEMBL7794972 0.78 NR5A1 (0.42) LTA4HNR5A1PTGS1SLC6A2ADRB3

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
EP-0348873-B1 FERROELECTRIC LIQUID-CRYSTALLINE POLYMER AND EPOXIDE USABLE FOR PREPARING THE FERROELECTRIC LIQUID-CRYSTALLINE POLYMER IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-06-09 EP disclosed
US-4954600-A HIGH SPEED DISPLAY IDEMITSU KOSAN CO., LTD. (JP) 1990-09-04 US disclosed
EP-0348873-A2 Ferroelectric liquid-crystalline polymer and epoxide usable for preparing the ferroelectric liquid-crystalline polymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-01-03 EP disclosed