SCHEMBL13196670

SCHEMBL13196670

CCCCN1C(=O)c2ccc3c4c(C)cc5c6c(ccc(c7c(C)cc(c2c37)C1=O)c64)C(=O)N(CCCCCOC(=O)C(C)(C)Br)C5=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.40
▸ PIN4 Q9Y237 1/20 0.40
▸ ALDH1A1 P00352 8/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ LMNA P02545 4/20 0.38
▸ HTT P42858 3/20 0.38
▸ RGS12 O14924 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HPGD P15428 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ HIF1A Q16665 1/20 0.37

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
SCHEMBL13196584 0.91 PIN1 (0.36) PIN1PIN4ALDH1A1RXFP1MEN1
SCHEMBL17190577 0.81 STAT3 (0.40) PIN1PIN4ALDH1A1MEN1KMT2A
SCHEMBL16284952 0.80 PIN1 (0.40) PIN1PIN4ALDH1A1RXFP1MEN1
SCHEMBL2607401 0.80 STAT3 (0.50) PIN1PIN4ALDH1A1MEN1KMT2A
SCHEMBL16284978 0.74 KDM4E (0.61) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL2607403 0.74 STAT3 (0.45) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL16284976 0.74 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL16691729 0.74 STAT3 (0.41) PIN1PIN4ALDH1A1MEN1KMT2A
SCHEMBL13196537 0.73 PIN1 (0.45) PIN1PIN4ALDH1A1MEN1KMT2A
SCHEMBL15459201 0.73 STAT3 (0.46) ALDH1A1MEN1KMT2ALMNAHTT

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-20100210742-A1 MICROPHASE-SEPARATED STRUCTURE MEMBRANE AND PROCESS FOR PRODUCING THE SAME TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-08-19 — — US disclosed
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