SCHEMBL10696967

SCHEMBL10696967

CC(C)NC(=O)/C=C/c1ccc(O)cc1.CS(=O)(=O)O

nearest known ligand 0.54

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB known ✓ P27338 2/20 0.50
MMP2 P08253 5/20 0.53
MMP9 P14780 5/20 0.53
MMP1 P03956 4/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
AKR1B10 O60218 2/20 0.50
AKR1B1 P15121 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50

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
SCHEMBL10696978 1.00 MMP2 (0.53) MMP2MMP9MMP1HDAC3HDAC4
SCHEMBL10699332 0.93 MAOB (0.50) MMP2MMP9MMP1HDAC3HDAC4
SCHEMBL10699343 0.93 MAOB (0.50) MMP2MMP9MMP1HDAC3HDAC4
SCHEMBL9576410 0.81 TAS1R3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10696973 0.81 TAS1R3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31440320 0.79 SMN1; SMN2 (0.71) MMP2MMP9MMP1HDAC3HDAC4
SCHEMBL1557401 0.79 SMN1; SMN2 (0.71) MMP2MMP9MMP1HDAC3HDAC4
SCHEMBL1559044 0.79 SMN1; SMN2 (0.71) MMP2MMP9MMP1HDAC3HDAC4
SCHEMBL9576116 0.79 MEN1 (0.77) MMP2MMP9MMP1RECQLMEN1
3-(4-Chlorophenyl)-N-Isopropylacrylamide SCHEMBL9576418 0.79 NOS2 (0.62) MMP2MMP9MMP1HDAC1HDAC2

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
EP-0274546-A1 New oxazolinone compounds useful as intermediates for the preparation of insecticidal and acaracidal cinnamide compounds AMERICAN CYANAMID COMPANY (US) 1988-07-20 EP disclosed