SCHEMBL9499668

SCHEMBL9499668

CC(C)(C)OOC(=O)OC=Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP2C19 P33261 1/20 0.42
EGFR P00533 1/20 0.41
GLA P06280 1/20 0.41
TNFRSF1A P19438 3/20 0.40
LMNA P02545 4/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
PLIN1 O60240 2/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 2/20 0.39
PLIN5 Q00G26 2/20 0.39
ABHD5 Q8WTS1 2/20 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
SCHEMBL104809 0.83 CYP2C19 (0.45) ALDH1A1TDP1TSHRCYP2C19EGFR
SCHEMBL10913657 0.83 CYP2C19 (0.45) ALDH1A1TDP1TSHRCYP2C19EGFR
SCHEMBL377478 0.80 HDAC1 (0.52) ALDH1A1TDP1EGFRGLATNFRSF1A
SCHEMBL7997478 0.78 CYP2C19 (0.41) ALDH1A1TDP1TSHRCYP2C19EGFR
SCHEMBL7542602 0.78 ALDH1A1 (0.49) ALDH1A1TDP1HSD17B10CYP2C19EGFR
SCHEMBL8613531 0.77 TDP1 (0.52) ALDH1A1TDP1TSHRHSD17B10CYP2C19
SCHEMBL8613528 0.77 TDP1 (0.52) ALDH1A1TDP1TSHRHSD17B10CYP2C19
SCHEMBL6393968 0.76 ALDH1A1 (0.42) ALDH1A1TDP1TSHRCYP2C19EGFR
SCHEMBL141457 0.76 CYP2C19 (0.47) ALDH1A1TDP1TSHRCYP2C19EGFR
SCHEMBL9128813 0.75 CYP2C19 (0.41) ALDH1A1TDP1TSHRCYP2C19EGFR

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-5250395-A Coating substrate with film of blocked polymer and aromatic dye, exposing to electromagnetic radiation, contacting with organometallic compound to form etch barrier, etching with reactive ions INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1993-10-05 US disclosed