SCHEMBL18445963

SCHEMBL18445963

CCCCOC(=O)NCCNC(=O)COc1cccc(C(=O)OC)c1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ TSHR P16473 4/20 0.43
▸ RECQL P46063 1/20 0.43
▸ GBA1 P04062 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ACHE P22303 1/20 0.39

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 0.85 CTSD (0.51) HSD17B10KMT2APOLBTSHRRECQL
SCHEMBL18475431 0.85 CTSD (0.51) HSD17B10KMT2APOLBTSHRRECQL
SCHEMBL25920599 0.82 TSHR (0.52) SMN1; SMN2HSD17B10KMT2APOLBTSHR
SCHEMBL17839975 0.81 HSD17B10 (0.49) HSD17B10KMT2APOLBTSHRHPGD
SCHEMBL29453458 0.81 HSD17B10 (0.49) HSD17B10KMT2APOLBTSHRHPGD
SCHEMBL21543849 0.81 SMN1; SMN2 (0.51) CYP1A2CYP2C19SMN1; SMN2HSD17B10KMT2A
SCHEMBL18493737 0.80 HSD17B10 (0.48) SMN1; SMN2HSD17B10KMT2APOLBTSHR
SCHEMBL24172945 0.80 PTPN1 (0.46) HSD17B10KMT2APOLBTDP1MEN1
SCHEMBL17839574 0.79 PTPN1 (0.45) HSD17B10KMT2APOLBTDP1
SCHEMBL29453449 0.79 PTPN1 (0.45) HSD17B10KMT2APOLBTDP1

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
EP-3331906-A1 TUNABLE ENDOGENOUS PROTEIN DEGRADATION Dana-Farber Cancer Institute, Inc. (US) 2018-06-13 — — EP disclosed
WO-2017024319-A1 TUNABLE ENDOGENOUS PROTEIN DEGRADATION DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-09 — — WO disclosed
Send feedback