SCHEMBL668901

SCHEMBL668901

CC(=O)Oc1ccc2c(ccc3c4c(ccc32)C=CC4)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
KDM4E B2RXH2 5/20 0.39
GLA P06280 3/20 0.39
GAA P10253 3/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA2 P00918 6/20 0.39
CA5A P35218 1/20 0.39
FLT3 P36888 1/20 0.38
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
TTR P02766 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 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
SCHEMBL996026 1.00 CA12 (0.41) CA12CA9KDM4EGLAGAA
SCHEMBL15539879 0.92 KDM4E (0.39) CA12CA9KDM4EGLAGAA
SCHEMBL9938274 0.89 ELANE (0.38) CA12CA9ALDH1A1TDP1CA2
SCHEMBL9938547 0.86 KDM4E (0.40) KDM4EGLAGAAALDH1A1KMT2A
SCHEMBL9938614 0.86 MEN1 (0.42) CA2KMT2AMEN1
SCHEMBL19253296 0.85 NCEH1 (0.30) KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL26104675 0.85 MEN1 (0.30) KMT2AMEN1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL23199797 0.83 CA2 (0.34) CA2KMT2AMEN1
SCHEMBL9938286 0.83 ACHE (0.38) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL9938270 0.83 ACHE (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232025-A1 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2023-08-30 EP disclosed
WO-2022087129-A1 PHOSPHINE REAGENTS FOR AZINE FLUOROALKYLATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2022-04-28 WO disclosed
EP-3856756-A1 HALOGENATED CHOLESTEROL ANALOGUES AND METHODS OF MAKING AND USING SAME The Regents Of The University Of Michigan (US) 2021-08-04 EP disclosed
EP-3852764-A1 STEROL ANALOGS AND USES THEREOF ModernaTX, Inc. (US) 2021-07-28 EP disclosed
WO-2020069267-A1 HALOGENATED CHOLESTEROL ANALOGUES AND METHODS OF MAKING AND USING SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-04-02 WO disclosed
WO-2020061332-A1 STEROL ANALOGS AND USES THEREOF MODERNATX, INC. (US) 2020-03-26 WO disclosed
EP-2970122-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO Aquinox Pharmaceuticals (Canada) Inc. (CA) 2016-01-20 EP disclosed
WO-2014158654-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2014-10-02 WO disclosed
EP-2651916-A2 C-17-HETEROARYL STEROIDAL COMPOUNDS AS INHIBITORS OF CYP11B, CYP17, AND/OR CYP21 BioMarin Pharmaceutical Inc. (US) 2013-10-23 EP disclosed
WO-2012083112-A2 CYP11B, CYP17, AND/OR CYP21 INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2012-06-21 WO disclosed
WO-2012022880-A2 METHOD FOR SYNTHESIZING STEROIDS UNIVERSITE DE STRASBOURG (FR) 2012-02-23 WO disclosed