SCHEMBL9704212

SCHEMBL9704212

O=C(O)Oc1c(O)cccc1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.49
PTGER3 P43115 3/20 0.49
PTGER1 P34995 2/20 0.49
PTGER2 P43116 2/20 0.49
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
ACMSD Q8TDX5 3/20 0.46
KMO O15229 1/20 0.43
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
GSTA1 P08263 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
BCL2L1 Q07817 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HNF4A P41235 2/20 0.41
DHFR P00374 1/20 0.41
MCL1 Q07820 1/20 0.41
EGFR P00533 2/20 0.40

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
SCHEMBL27999560 0.77 BACE1 (0.58) ALDH1A1HPGDBCL2L1HSD17B10HNF4A
SCHEMBL8914805 0.77 HPGD (0.70) PTGER4PTGER3PTGER1PTGER2HDAC4
SCHEMBL30127606 0.77 HPGD (0.70) PTGER4PTGER3PTGER1PTGER2HDAC4
SCHEMBL6984237 0.76 CA2 (0.48) HDAC4HDAC2HDAC8THRBALDH1A1
Bicarbonate SCHEMBL9704219 0.76 HDAC4 (0.53) PTGER4PTGER3PTGER1PTGER2HDAC4
SCHEMBL9378330 0.74 HPGD (0.46) ALDH1A1HPGDBCL2L1HSD17B10HNF4A
SCHEMBL10338434 0.73 HDAC4 (0.53) PTGER4PTGER3PTGER1PTGER2HDAC4
SCHEMBL8778337 0.73 HDAC4 (0.53) PTGER4PTGER3PTGER1PTGER2HDAC4
SCHEMBL8048670 0.72 SELL (0.47) PTGER4PTGER3PTGER1PTGER2MCL1
SCHEMBL5611612 0.72 ELANE (0.44) HDAC4HDAC2HDAC8THRBALDH1A1

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-5145939-A With copolymers of bisphenol a; solvent resistance GENERAL ELECTRIC COMPANY (US) 1992-09-08 US disclosed