SCHEMBL8976166

SCHEMBL8976166

N#CC(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc(Oc2ccc(O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.56
ESR2 Q92731 8/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LTA4H P09960 3/20 0.48
NR1H2 P55055 1/20 0.48
BAX Q07812 1/20 0.48
ALDH1A1 P00352 5/20 0.46
PKM P14618 1/20 0.46
ACHE P22303 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PARP10 Q53GL7 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
ALPG P10696 1/20 0.41

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
SCHEMBL125355 0.87 ESR1 (0.65) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL28391516 0.85 ESR2 (0.53) ESR1ESR2KMT2ALTA4HALDH1A1
SCHEMBL4453589 0.80 LTA4H (0.48) LTA4HNR1H2BAXALDH1A1SMN1; SMN2
SCHEMBL27579613 0.79 ESR1 (0.56) ESR1ESR2MEN1KMT2AALDH1A1
Water SCHEMBL8862151 0.78 MEN1 (0.93) ESR1ESR2MEN1KMT2ALTA4H
SCHEMBL1979669 0.76 ESR1 (0.70) ESR1ESR2MEN1KMT2ALTA4H
SCHEMBL17106643 0.76 ESR1 (0.70) ESR1ESR2MEN1KMT2ALTA4H
SCHEMBL3175106 0.75 ESR2 (1.00) ESR1ESR2MEN1KMT2ALTA4H
SCHEMBL18198 0.75 ESR2 (1.00) ESR1ESR2MEN1KMT2ALTA4H
SCHEMBL7811939 0.75 ESR2 (1.00) ESR1ESR2MEN1KMT2ALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180036970-A1 PULTRUDED ARTICLES AND METHODS FOR MAKING SAME ZEPHYROS, INC. 2018-02-08 US disclosed
EP-0589939-B1 HYDROXY-FUNCTIONAL POLY(ETHER SULFONAMIDES) AS THERMOPLASTIC BARRIER RESINS DOW CHEMICAL CO (US) 1996-03-27 EP disclosed