SCHEMBL9307640

SCHEMBL9307640

CC(C)C(O)c1ccc(Br)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.41
ALOX15 P16050 3/20 0.40
LMNA P02545 3/20 0.39
TRPA1 O75762 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
BCL2 P10415 1/20 0.37
MCL1 Q07820 1/20 0.37
APLNR P35414 2/20 0.36
RECQL P46063 4/20 0.36
TDP1 Q9NUW8 4/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36

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
SCHEMBL20928551 0.85 ALOX15 (0.44) PDE2AALOX15LMNATRPA1CHRM1
SCHEMBL3083574 0.84 ALOX15 (0.45) PDE2AALOX15LMNAGABRA1GABRB1
SCHEMBL4912678 0.81 LMNA (0.59) ALOX15LMNATRPA1CHRM1SLC6A2
SCHEMBL16423207 0.80 PDE2A (0.41) PDE2AALOX15LMNATRPA1CHRM1
SCHEMBL2429235 0.80 PDE2A (0.58) PDE2ALMNAAPLNRKDM4ENFKB1
SCHEMBL24838388 0.78 ALOX15 (0.41) PDE2AALOX15LMNATRPA1CHRM1
SCHEMBL15332748 0.76 PDE2A (0.44) PDE2ALMNAGABRA1GABRB1APLNR
SCHEMBL4917683 0.74 TSHR (0.57) ALOX15LMNATRPA1CHRM1SLC6A2
SCHEMBL27675053 0.74 HPGD (0.42) ALOX15LMNATRPA1CHRM1SLC6A2
SCHEMBL3473581 0.72 PDE2A (0.38) PDE2AALOX15LMNATRPA1CHRM1

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
US-5342972-A Rearranging phenol ester by fries shift, reduction, cyclization BASF AKTIENGESELLSCHAFT (DE) 1994-08-30 US disclosed
US-5229530-A 2,2-dialkyl-2,3-dihydro-6-bromobenzofuran BASF AKTIENGESELLSCHAFT (DE) 1993-07-20 US disclosed
US-5200532-A Dehydration, cyclization; acidic ion exchange resin and inorganic dessicant BASF AKTIENGESELLSCHAFT (DE) 1993-04-06 US disclosed
EP-0474016-A2 Method for the preparation of 2,3-dihydro-benzofuranes BASF Aktiengesellschaft (DE) 1992-03-11 EP disclosed