SCHEMBL25920599

SCHEMBL25920599

CCCOCCOCCOCCCNC(=O)COc1cccc(C(=O)OC)c1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.52
▸ RECQL P46063 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ GBA1 P04062 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HIF1A Q16665 1/20 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
SCHEMBL29453453 0.87 PTPN1 (0.43) TSHRRECQLALDH1A1NPSR1HSD17B10
SCHEMBL17839751 0.87 PTPN1 (0.43) TSHRRECQLALDH1A1NPSR1HSD17B10
SCHEMBL18475393 0.86 CTSD (0.51) TSHRRECQLALDH1A1HSD17B10KMT2A
SCHEMBL18475431 0.86 CTSD (0.51) TSHRRECQLALDH1A1HSD17B10KMT2A
SCHEMBL24391150 0.85 PTPN1 (0.42) TSHRRECQLALDH1A1HSD17B10HPGD
SCHEMBL18445963 0.82 CYP1A2 (0.49) TSHRRECQLALDH1A1HSD17B10KMT2A
SCHEMBL18493737 0.81 HSD17B10 (0.48) TSHRALDH1A1NPSR1HSD17B10KMT2A
SCHEMBL24172945 0.78 PTPN1 (0.46) NPSR1HSD17B10KMT2APOLBMEN1
SCHEMBL21543887 0.78 ALDH1A1 (0.46) ALDH1A1NPSR1HSD17B10KMT2AHPGD
SCHEMBL17839574 0.77 PTPN1 (0.45) HSD17B10KMT2APOLB

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-3256470-B1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA FARBER CANCER INST INC (US) 2023-07-26 — — EP disclosed
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