SCHEMBL9856161

SCHEMBL9856161

CCCCC(C)Oc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.50
NR5A1 Q13285 1/20 0.50
GPR88 Q9GZN0 1/20 0.47
ESR1 P03372 5/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR1H2 P55055 1/20 0.42
RNASEL Q05823 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL9584542 0.95 NR5A1 (0.53) LTA4HNR5A1GPR88ESR1LMNA
SCHEMBL7769925 0.95 NR5A1 (0.53) LTA4HNR5A1GPR88ESR1LMNA
SCHEMBL6934319 0.93 NR5A1 (0.56) LTA4HNR5A1GPR88ESR1LMNA
SCHEMBL7773685 0.93 NR5A1 (0.56) LTA4HNR5A1GPR88ESR1LMNA
SCHEMBL9137436 0.93 NR5A1 (0.56) LTA4HNR5A1GPR88ESR1LMNA
SCHEMBL7784197 0.93 NR5A1 (0.56) LTA4HNR5A1GPR88ESR1LMNA
SCHEMBL2089562 0.89 LTA4H (0.44) LTA4HNR5A1GPR88ESR1LMNA
SCHEMBL6936741 0.89 NR5A1 (0.51) LTA4HNR5A1GPR88ESR1LMNA
SCHEMBL6934758 0.89 NR5A1 (0.51) LTA4HNR5A1GPR88ESR1LMNA
SCHEMBL7663742 0.89 NR5A1 (0.51) LTA4HNR5A1GPR88ESR1LMNA

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-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed
US-4697033-A INSECTICIDES SANDOZ LTD. (CH) 1987-09-29 US disclosed