SCHEMBL8077124

SCHEMBL8077124

CC1(C)C=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
F10 P00742 1/20 0.33
TRPV1 Q8NER1 2/20 0.33
HSD11B1 P28845 1/20 0.32
PPARG P37231 1/20 0.32
KIF11 P52732 1/20 0.32
TP53 P04637 1/20 0.31
TERT O14746 1/20 0.31
AR P10275 1/20 0.30
PPARA Q07869 1/20 0.30
ADK P55263 1/20 0.30
PARP1 P09874 1/20 0.30
PARP10 Q53GL7 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL9141298 0.91 ABCC9 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8077246 0.84 HSD11B1 (0.34) TRPV1HSD11B1ALDH1A1
SCHEMBL8122910 0.84 TRPV1 (0.32) F10TRPV1TP53
SCHEMBL8084219 0.83 KDM4E (0.36) F10ADKALDH1A1
SCHEMBL9475113 0.82 ESPL1 (0.37) ALDH1A1
SCHEMBL8085076 0.82 NPSR1 (0.34) F10TRPV1AR
SCHEMBL8084230 0.82 HRH4 (0.30) AR
SCHEMBL9796819 0.82 HRH4 (0.34) PPARGTP53ALDH1A1
SCHEMBL8088499 0.82 TP53 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9299404 0.81 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0373204-A1 NOVEL COMPOUNDS AND TREATMENT BEECHAM GROUP PLC (GB) 1990-06-20 EP claimed
WO-1989010925-A1 NOVEL COMPOUNDS AND TREATMENT BEECHAM GROUP PLC (GB) 1989-11-16 WO claimed
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
US-5254557-A Administering for reversible airways obstruction and asthma BEECHAM GROUP P.L.C. (GB) 1993-10-19 US disclosed
EP-0373204-A1 NOVEL COMPOUNDS AND TREATMENT BEECHAM GROUP PLC (GB) 1990-06-20 EP disclosed
WO-1989010925-A1 NOVEL COMPOUNDS AND TREATMENT BEECHAM GROUP PLC (GB) 1989-11-16 WO disclosed