SCHEMBL24616754

SCHEMBL24616754

O=C(O)/C=C/C(=O)OC1(c2ccc(Br)cn2)CCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HCAR2 Q8TDS4 2/20 0.33
▸ NPC1 O15118 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ SLC22A12 Q96S37 1/20 0.30

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
SCHEMBL24616776 0.85 ALDH1A1 (0.36) ALDH1A1KDM4ERAB9ASMN1; SMN2HCAR2
SCHEMBL29676887 0.81 RAB9A (0.36) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL24616682 0.81 RAB9A (0.36) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL24616690 0.80 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2HCAR2LMNA
SCHEMBL29395403 0.78 KMT2A (0.34) TSHR
SCHEMBL24616755 0.78 KMT2A (0.34) TSHR
SCHEMBL24397858 0.74 ALDH1A1 (0.36) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL17894135 0.74 ALDH1A1 (0.39) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL17894159 0.74 ALDH1A1 (0.39) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL9936063 0.70 ALDH1A1 (0.44) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022038365-A9 FUMARATE DERIVATIVES AND THEIR MEDICAL USE SITRYX THERAPEUTICS LIMITED (GB) 2022-07-14 — — WO claimed
EP-4200275-A2 FUMARATE DERIVATIVES AND THEIR MEDICAL USE Sitryx Therapeutics Limited (GB) 2023-06-28 — — EP disclosed
WO-2022038365-A9 FUMARATE DERIVATIVES AND THEIR MEDICAL USE SITRYX THERAPEUTICS LIMITED (GB) 2022-07-14 — — WO disclosed
WO-2022038365-A9 FUMARATE DERIVATIVES AND THEIR MEDICAL USE SITRYX THERAPEUTICS LIMITED (GB) 2022-07-14 — — WO disclosed
WO-2022038365-A2 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2022-02-24 — — WO disclosed
Send feedback