SCHEMBL8077829

SCHEMBL8077829

BrCCCCc1ccc2c(c1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
CALM1 P0DP23 1/20 0.46
LMNA P02545 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
THRB P10828 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
KLF5 Q13887 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CYP2D6 P10635 1/20 0.44

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
SCHEMBL8062372 0.98 HDAC1 (0.48) TAAR1CALM1LMNAALDH1A1HTT
SCHEMBL8071385 0.98 HDAC1 (0.48) TAAR1CALM1LMNAALDH1A1HTT
SCHEMBL8072673 0.98 HDAC1 (0.48) TAAR1CALM1LMNAALDH1A1HTT
SCHEMBL8072848 0.98 HDAC1 (0.48) TAAR1CALM1LMNAALDH1A1HTT
SCHEMBL8072814 0.98 HDAC1 (0.48) TAAR1CALM1LMNAALDH1A1HTT
SCHEMBL8072546 0.98 HDAC1 (0.48) TAAR1CALM1LMNAALDH1A1HTT
SCHEMBL8073038 0.95 TAAR1 (0.49) TAAR1CALM1LMNAALDH1A1HTT
SCHEMBL8072554 0.89 TAAR1 (0.61) TAAR1CALM1HDAC1HDAC3HDAC2
SCHEMBL8062071 0.88 TAAR1 (0.59) TAAR1CALM1HDAC1HDAC3HDAC2
SCHEMBL7564465 0.88 TAAR1 (0.59) TAAR1CALM1HDAC1HDAC3HDAC2

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