SCHEMBL7990719

SCHEMBL7990719

Oc1c(-c2ccc3cc(-c4cccc5ccccc45)ccc3c2O)ccc2cc(-c3cccc4ccccc34)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.51
▸ ACMSD Q8TDX5 1/20 0.51
▸ TLR8 Q9NR97 1/20 0.48
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HSD17B1 P14061 5/20 0.44
▸ HSD17B2 P37059 5/20 0.44
▸ PTPN22 Q9Y2R2 1/20 0.44
▸ ERN1 O75460 2/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MPI P34949 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ESR2 Q92731 2/20 0.41
▸ ESR1 P03372 1/20 0.41

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
SCHEMBL57494 0.86 ALDH1A1 (0.54) MCL1ACMSDTLR8HDAC8HDAC6
SCHEMBL28336706 0.84 HPRT1 (0.56) MCL1ACMSDTLR8HDAC8HDAC6
SCHEMBL4443508 0.84 PTPN22 (0.56) PTPN22KDM4EMEN1ALDH1A1MAPT
SCHEMBL14417220 0.83 HSD17B1 (0.61) MCL1ACMSDTLR8HSD17B1HSD17B2
SCHEMBL1044450 0.82 HDAC4 (0.61) ACMSDHDAC8HDAC4HDAC2HSD17B1
SCHEMBL29858254 0.82 HDAC4 (0.61) ACMSDHDAC8HDAC4HDAC2HSD17B1
SCHEMBL10028244 0.82 MCL1 (0.57) MCL1ACMSDTLR8HDAC8HDAC4
SCHEMBL31742566 0.82 MCL1 (0.54) MCL1ACMSDHDAC8HDAC4HDAC2
SCHEMBL598962 0.80 GSTP1 (0.57) MCL1ACMSDHDAC8HDAC4HDAC2
SCHEMBL30274189 0.80 GSTP1 (0.57) MCL1ACMSDHDAC8HDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6201123-B1 FOR ASYMMETRIC EPOXIDATION OF ENONES; GIVES EPOXIDES HAVING AN ENHANCED OPTICAL PURITY TECHNO POLYMER CO., LTD. (JP) 2001-03-13 — — US claimed
US-6201123-B1 FOR ASYMMETRIC EPOXIDATION OF ENONES; GIVES EPOXIDES HAVING AN ENHANCED OPTICAL PURITY TECHNO POLYMER CO., LTD. (JP) 2001-03-13 — — US disclosed
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