SCHEMBL31117823

SCHEMBL31117823

O=C(O)C1(Oc2ccccc2)CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ MMP1 P03956 3/20 0.43
▸ MMP13 P45452 2/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ EPHX1 P07099 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 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
SCHEMBL27142106 0.88 AKR1C1 (0.41) ALDH1A1KMT2ASMN1; SMN2KDM4ETSHR
SCHEMBL31117363 0.85 CTSK (0.44) ALDH1A1SMN1; SMN2TSHRNPSR1TP53
SCHEMBL31117784 0.84 MAP4K4 (0.49) ALDH1A1MMP1MMP13MMP2MMP3
SCHEMBL18469680 0.83 CTSK (0.49) ALDH1A1KMT2AKDM4ERAB9ANPSR1
SCHEMBL15331180 0.82 SMN1; SMN2 (0.46) ALDH1A1KMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL2558816 0.82 ALDH1A1 (0.46) ALDH1A1MMP1MMP13MMP2MMP3
SCHEMBL2561281 0.81 MAOB (0.47) ALDH1A1KMT2AKDM4ENPC1RAB9A
SCHEMBL2557460 0.80 SRC (0.43) ALDH1A1EPHX1HSD17B10KMT2ASMN1; SMN2
SCHEMBL31117786 0.80 CTSK (0.39) ALDH1A1SMN1; SMN2KDM4ETSHRTP53
Hydrochloric Acid SCHEMBL31382400 0.79 OPRM1 (0.41) TSHR

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-4680343-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-01-21 — — EP disclosed
WO-2024192415-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-09-19 — — WO disclosed
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