SCHEMBL7182672

SCHEMBL7182672

O=Cc1ccc(Oc2c(-c3ccccc3)ccc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 2/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PSMB1 P20618 1/20 0.38
PSMB2 P49721 1/20 0.38
PPARG P37231 3/20 0.36
PPARA Q07869 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2A6 P11509 1/20 0.36
GLA P06280 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
DRD1 P21728 2/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL7189512 0.89 ESR1 (0.42) ALDH1A1MAPTRAB9AESR1ESR2
SCHEMBL7190056 0.89 HSD17B10 (0.41) ALDH1A1MAPTRAB9AKDM4ELMNA
SCHEMBL7187373 0.89 ALDH1A1 (0.49) ALDH1A1MAPTRAB9AESR1ESR2
SCHEMBL7187142 0.86 ESR1 (0.46) ALDH1A1MAPTRAB9AESR1ESR2
SCHEMBL7194280 0.86 CYP1B1 (0.42) ALDH1A1MAPTRAB9AESR1ESR2
SCHEMBL6050365 0.85 CYP1A2 (0.43) ALDH1A1MAPTESR1ESR2CYP2A6
SCHEMBL7183993 0.83 ESR1 (0.59) ESR1ESR2
SCHEMBL7183989 0.83 ESR1 (0.59) ESR1ESR2
SCHEMBL668420 0.79 ALDH1A1 (0.44) ALDH1A1MAPTRAB9AKDM4ELMNA
SCHEMBL7538596 0.79 WDR5 (0.47) ALDH1A1MAPTRAB9AESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835867-B1 1-Aryloxy-2-arylnaphthyl compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2003-12-03 EP disclosed
US-5916916-A USEFUL AS SELECTIVE ESTROGEN RECEPTOR MODULATORS. ELI LILLY AND COMPANY (US) 1999-06-29 US disclosed
EP-0835867-A1 1-Aryloxy-2-arylnaphthyl compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed