SCHEMBL7071732

SCHEMBL7071732

C=C(C)C(=O)Oc1c(Cl)c(OCCC)c(Cl)c(OCCC)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
THRB P10828 1/20 0.36
ALDH1A1 P00352 3/20 0.32
ELANE P08246 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL10870996 0.80 ALDH1A1 (0.44) TSHRTHRBALDH1A1ELANETDP1
SCHEMBL937676 0.78 ALDH1A1 (0.42) TSHRTHRBALDH1A1ELANETDP1
SCHEMBL391495 0.76 TSHR (0.36) TSHRTHRB
SCHEMBL11312550 0.75 KMT2A (0.36) ALDH1A1POLBHTTNPC1RAB9A
SCHEMBL11213822 0.75 THRB (0.33) THRBALDH1A1HTTLMNA
SCHEMBL11177282 0.75 HTT (0.33) THRBALDH1A1HTTLMNA
SCHEMBL10385524 0.73 THRB (0.36) TSHRTHRBALDH1A1ELANEHTT
Methacrylic Acid SCHEMBL9662637 0.73 ELANE (0.39) TSHRALDH1A1ELANECYP1A2CYP2C9
SCHEMBL11143904 0.72 THRB (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL28411263 0.71 ELANE (0.53) TSHRELANEPOLBAPEX1HTT

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-20030096172-A1 Hologram recording material composition and hologram recording medium DAISO CO., LTD. (JP) 2003-05-22 US disclosed