SCHEMBL8073192

SCHEMBL8073192

C=CCCCCCCCCc1ccc(CCCC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
THRB P10828 8/20 0.53
THRA P10827 7/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ESR1 P03372 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
TACR2 P21452 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
SHBG P04278 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
HSPD1 P10809 1/20 0.52
ADRB3 P13945 1/20 0.52

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
SCHEMBL8077513 1.00 TSHR (0.58) TSHRTHRBTHRAMEN1KMT2A
SCHEMBL8062204 1.00 TSHR (0.58) TSHRTHRBTHRAMEN1KMT2A
SCHEMBL8076182 1.00 TSHR (0.58) TSHRTHRBTHRAMEN1KMT2A
SCHEMBL8072343 0.98 TSHR (0.54) TSHRTHRBTHRAMEN1KMT2A
SCHEMBL8071283 0.92 TSHR (0.52) TSHRTHRBTHRAMEN1KMT2A
SCHEMBL8062478 0.92 TSHR (0.52) TSHRTHRBTHRAMEN1KMT2A
SCHEMBL8062042 0.92 TSHR (0.52) TSHRTHRBTHRAMEN1KMT2A
SCHEMBL8072063 0.92 TSHR (0.52) TSHRTHRBTHRAMEN1KMT2A
SCHEMBL8063254 0.92 THRB (0.55) TSHRTHRBTHRAMEN1KMT2A
SCHEMBL8072141 0.90 TSHR (0.48) TSHRTHRBTHRAMEN1KMT2A

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
US-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 US disclosed
US-5637736-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 US disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 EP disclosed