SCHEMBL1661802

SCHEMBL1661802

C(c1ccccc1)=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
IDO1 P14902 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
THRB P10828 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL3929573 0.98 GAA (0.39) GAAPOLBHSP90AA1MAPK1SMN1; SMN2
SCHEMBL1578848 0.98 GAA (0.41) GAAPOLBHSP90AA1MAPK1SMN1; SMN2
SCHEMBL29712141 0.87 POLB (0.33) GAAPOLBHSP90AA1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL7770339 0.87 POLB (0.33) GAAPOLBHSP90AA1MAPK1SMN1; SMN2
SCHEMBL29712098 0.85 POLB (0.32) GAAPOLBHSP90AA1MAPK1SMN1; SMN2
SCHEMBL30187480 0.82
SCHEMBL14992914 0.75
SCHEMBL28793536 0.71 POLB (0.32) GAAPOLBHSP90AA1MAPK1SMN1; SMN2
SCHEMBL29355518 0.69 GAA (0.36) GAAPOLBHSP90AA1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL15104589 0.68 POLB (0.35) GAAPOLBHSP90AA1MAPK1SMN1; 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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111747968-B Cyclic 1, 2-dioxetane force response group, and synthetic method and application thereof 天津大学 2023-01-24 CN claimed
US-10301443-B2 Composite materials with desired characteristics NANOCORE APS (DK) 2019-05-28 US disclosed
CN-109415280-A Oxy-Cope rearrangement for the preparation of pesticidal cyclopentenes 巴斯夫欧洲公司 2019-03-01 CN disclosed
CN-108699075-A Spirocyclic derivatives 巴斯夫欧洲公司 2018-10-23 CN disclosed
US-20180298154-A1 DESIGN OF COMPOSITE MATERIALS WITH DESIRED CHARACTERISTICS NANOCORE APS (DK) 2018-10-18 US disclosed
CN-102627639-B Macrocydic inhibitors of hepatitis c virus. 爱尔兰詹森科学公司 2017-04-12 CN disclosed
CN-103030636-B The macrocyclic hcv inhibitors of hepatitis C virus Ireland Jansen scientific company (IE) 2016-03-02 CN disclosed
CN-105254637-A PYRIMIDINE SUBSTITUTED MACROCYCLIC INHIBITORS JANSSEN R & D IRELAND 2016-01-20 CN disclosed
CN-101273052-B Macrocyclic inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2016-01-13 CN disclosed
CN-101273027-B The macrocyclic hcv inhibitors of hepatitis C virus JANSSEN R&D IRELAND (IE) 2015-12-02 CN disclosed
CN-101273028-A Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARM LTD (IE) 2008-09-24 CN disclosed
CN-101273052-A Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARM LTD (IE) 2008-09-24 CN disclosed
CN-101273027-A Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARM LTD (IE) 2008-09-24 CN disclosed
CN-101273042-A Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARM LTD (IE) 2008-09-24 CN disclosed
CN-101233147-A Macrocyclic inhibitors of hepatitis c virus TIBOTEC PHARM LTD (IE) 2008-07-30 CN disclosed
CN-101233137-A Macrocylic inhibitors of hepatitis c virus TIBOTEC PHARM LTD (IE) 2008-07-30 CN disclosed
CN-101228169-A Macrocyclic inhibitors of hepatitis c virus TIBOTEC PHARM LTD (IE) 2008-07-23 CN disclosed
CN-100384843-C CGRP receptor antagonists MERCK & CO INC (US) 2008-04-30 CN disclosed
CN-101039718-A Cgrp receptor antagonists MERCK & CO INC (US) 2007-09-19 CN disclosed
CN-1802376-A CGRP receptor antagonists MERCK & CO INC (US) 2006-07-12 CN disclosed