SCHEMBL9680128

SCHEMBL9680128

CC1(C)C=C(c2ccccc2)C=CC1(C(=O)O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 1/20 0.32
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.30
PTGS2 P35354 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL22465 0.84 THRB (0.34) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL5848007 0.81 THRB (0.32) MEN1KMT2ATHRBTDP1GAA
SCHEMBL20702294 0.81 THRB (0.36) THRBTDP1TP53
SCHEMBL28358615 0.79 THRB (0.32) THRBTDP1TP53
SCHEMBL17202669 0.77 THRB (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5847347 0.77 THRB (0.32) MEN1KMT2ATHRBTDP1GAA
SCHEMBL15062380 0.77 MEN1 (0.30) MEN1KMT2AGAA
SCHEMBL5860254 0.74 KDM1A (0.31) ALDH1A1
SCHEMBL28992054 0.73 LMNA (0.31) MEN1KMT2AGAAMAPK1
Methane SCHEMBL27360537 0.73 KDM1A (0.31)

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
US-5118782-A THERMOTROPIC AROMATIC POLYESTER WHICH IS MELT-PROCESSABLE AT LOW TEMPERATURES AND EXHIBITS LIQUID CRYSTALLINE PROPERTIES UBE INDUSTRIES, LTD. (JP) 1992-06-02 US disclosed