SCHEMBL987210

SCHEMBL987210

O=C(O)c1cc(Cl)c(O)c(Br)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.72
TSHR P16473 1/20 0.47
TPMT P51580 3/20 0.46
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA3 P07451 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
SELL P14151 1/20 0.46

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
SCHEMBL737305 0.84 TTR (1.00) TTRTSHRTPMTCA12CA1
SCHEMBL1114408 0.84 TTR (1.00) TTRTSHRTPMTCA12CA1
SCHEMBL11184770 0.83 TTR (0.48) TTRTSHRALDH1A1MAPTHSD17B10
Bromide SCHEMBL28853691 0.82 TTR (0.95) TTRTSHRTPMTCA12CA1
SCHEMBL1879399 0.82 TTR (0.47) TTRCA5AALDH1A1LMNAMAPT
SCHEMBL15796379 0.81 TTR (0.56) TTRTSHRTPMTCA12CA1
SCHEMBL8380493 0.79 TTR (0.54) TTRTSHRTPMTCA12CA1
SCHEMBL30689081 0.78 TTR (0.78) TTRTSHRTPMTCA12CA1
SCHEMBL1458206 0.78 TTR (0.78) TTRTSHRTPMTCA12CA1
SCHEMBL29373087 0.78 TTR (0.78) TTRTPMTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3636637-A1 INHIBITING FATTY ACID SYNTHASE (FASN) Forma Therapeutics, Inc. (US) 2020-04-15 EP disclosed
CN-106124646-A A kind of detect the method for polarity phenol chloro/bromo disinfection byproduct (DBP) in water 南京大学 2016-11-16 CN disclosed
US-7875631-B2 e.g.1-(3,5-dichlorophenyl)-2-formyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline; to prevent and/or treat cancer and other abnormal cell growth, and metabolic as well as blood vessel proliferate disorders, in which uncontrolled expression of insulin-like growth factor-1 receptor is observed ANALYTECON S.A. (CH) 2011-01-25 US disclosed
US-4400387-A USEFUL IN VETERINARY MEDICINE FOR TREATMENT OF PSYCHOLOGICAL DISORDERS S. A. LABAZ-SANOFI N.V. (FR) 1983-08-23 US disclosed