SCHEMBL9861476

SCHEMBL9861476

CCCCc1ccc(C(=O)Oc2ccccc2)cc1CBr

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PRSS1 P07477 2/20 0.42
ACR P10323 2/20 0.42
NSD2 O96028 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
PARP10 Q53GL7 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL19199596 0.81 NSD2 (0.56) MAPTTDP1ALDH1A1KMT2APRSS1
SCHEMBL1793103 0.76 TRPV1 (0.56) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL1789755 0.76 CYP4F2 (0.55) MAPTTDP1KMT2AMEN1SMN1; SMN2
SCHEMBL11509379 0.75 MAPT (0.47) MAPTTDP1ALDH1A1KMT2AMEN1
SCHEMBL28397891 0.74 TYR (0.43) MAPTTDP1ALDH1A1KMT2AMEN1
SCHEMBL1789266 0.74 HPGD (0.51) MAPTTDP1ALDH1A1KMT2AMEN1
SCHEMBL28407107 0.73 TYR (0.42) ALDH1A1PRSS1ACRSMN1; SMN2LMNA
SCHEMBL9558835 0.72 KMT2A (0.50) MAPTKMT2APRSS1ACRSMN1; SMN2
SCHEMBL28401256 0.72 TYR (0.41) PRSS1ACRSMN1; SMN2LMNACYP1A2
SCHEMBL5706230 0.72 KMT2A (0.70) MAPTKMT2APRSS1ACRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5003123-A Process for the preparation of cyclobutenoarenes SHELL OIL COMPANY (US) 1991-03-26 US disclosed