SCHEMBL23601630

SCHEMBL23601630

CC(=O)OCCOC(=O)c1c(I)cc(I)cc1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ TTR P02766 1/20 0.35
▸ SERPINE1 P05121 2/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ CHRM5 P08912 2/20 0.34
▸ CHRM1 P11229 2/20 0.34
▸ CHRM3 P20309 2/20 0.34
▸ PGR P06401 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL10725906 0.83 THRB (0.45) ESR1ALDH1A1TSHRTTRSERPINE1
SCHEMBL8203344 0.79 NR1H2 (0.53) ESR1ALDH1A1TSHRSMN1; SMN2NR1H2
SCHEMBL22451778 0.79 GPR17 (0.37) ESR1TSHRTTRSERPINE1
SCHEMBL23601639 0.78 TSHR (0.45) ESR1ALDH1A1TSHRSERPINE1HTT
SCHEMBL26586792 0.77 ESR1 (0.41) ESR1TSHRSERPINE1
SCHEMBL7591894 0.77 KMT2A (0.46) ALDH1A1SMN1; SMN2HTT
SCHEMBL19756064 0.76 ACP1 (0.36) ESR1SERPINE1
SCHEMBL10725200 0.76 CYP3A4 (0.36) ESR1ALDH1A1TSHRSERPINE1SMN1; SMN2
SCHEMBL26586684 0.76 TTR (0.34) ESR1TTRSMN1; SMN2NR1H2NR1H3
SCHEMBL26028565 0.75 NR1H2 (0.41) ESR1ALDH1A1TSHRTTRSMN1; SMN2

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-20210200093-A1 COATING COMPOSITION FOR PHOTORESIST UNDERLAYER DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-07-01 — — US disclosed
Send feedback