SCHEMBL18475431

SCHEMBL18475431

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ HSD17B10 Q99714 1/20 0.48
▸ DHODH Q02127 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ GBA1 P04062 1/20 0.43
▸ NAAA Q02083 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL18475393 1.00 CTSD (0.51) CTSDKMT2AHSD17B10DHODHPOLB
SCHEMBL25920599 0.86 TSHR (0.52) KMT2AHSD17B10POLBTSHRRECQL
SCHEMBL17839814 0.85 PTPN1 (0.45) KMT2AHSD17B10POLB
SCHEMBL18445963 0.85 CYP1A2 (0.49) KMT2AHSD17B10POLBTSHRRECQL
SCHEMBL29453449 0.85 PTPN1 (0.45) KMT2AHSD17B10POLB
SCHEMBL17839574 0.85 PTPN1 (0.45) KMT2AHSD17B10POLB
SCHEMBL29453445 0.85 PTPN1 (0.45) KMT2AHSD17B10POLB
SCHEMBL18493737 0.85 HSD17B10 (0.48) KMT2AHSD17B10POLBTSHRALDH1A1
SCHEMBL24172945 0.84 PTPN1 (0.46) KMT2AHSD17B10POLBMEN1
SCHEMBL20934599 0.83 LMNA (0.57) KMT2AHSD17B10POLBTSHRALDH1A1

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
WO-2017024317-A2 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-09 — — WO disclosed
WO-2017024318-A1 TARGETED PROTEIN DEGRADATION TO ATTENUATE ADOPTIVE T-CELL THERAPY ASSOCIATED ADVERSE INFLAMMATORY RESPONSES DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-09 — — WO disclosed
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