SCHEMBL9842930

SCHEMBL9842930

CCCCCCCCCCC(=O)OC1(O)C=CC(c2ccccc2)=CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLM Q9NP87 2/20 0.40
POLK Q9UBT6 2/20 0.40
POLL Q9UGP5 2/20 0.40
POLH Q9Y253 2/20 0.40
SOAT1 P35610 2/20 0.38
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
FAAH O00519 2/20 0.35
EPHX2 P34913 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL9331797 0.85 SOAT1 (0.37) POLMPOLKPOLLPOLHSOAT1
SCHEMBL8380025 0.85 SOAT1 (0.37) POLMPOLKPOLLPOLHSOAT1
SCHEMBL9574882 0.83 SOAT1 (0.36) POLMPOLKPOLLPOLHSOAT1
SCHEMBL10449057 0.81 NR5A1 (0.40) SOAT1MEN1KMT2ARECQLFAAH
SCHEMBL21224653 0.81 NR5A1 (0.40) SOAT1MEN1KMT2ARECQLFAAH
SCHEMBL28464418 0.81 NR5A1 (0.40) SOAT1MEN1KMT2ARECQLFAAH
SCHEMBL10448680 0.80 RARB (0.47)
SCHEMBL28472097 0.78 NR5A1 (0.37) MEN1KMT2AKDM4ETDP1POLB
SCHEMBL29154633 0.76 SRR (0.31)
SCHEMBL10445788 0.75 POLM (0.32) POLMPOLKPOLLPOLHSOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413989-A2 Liquid crystal compounds Showa Shell Sekiyu Kabushiki Kaisha (JP) 1991-02-27 EP disclosed