SCHEMBL29535965

SCHEMBL29535965

COc1cc(O)ccc1/C=C/C(=O)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.68
▸ CTSB P07858 5/20 0.68
▸ TDP1 Q9NUW8 1/20 0.68
▸ KDR P35968 2/20 0.64
▸ ABCB1 P08183 2/20 0.60
▸ CYP1A1 P04798 1/20 0.59
▸ CYP1B1 Q16678 1/20 0.59
▸ PTPN1 P18031 4/20 0.58
▸ CAPN1 P07384 1/20 0.55
▸ MAOB P27338 2/20 0.54
▸ TNFRSF1A P19438 1/20 0.52
▸ APP P05067 1/20 0.51

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
SCHEMBL21802480 1.00 CTSL (0.68) CTSLCTSBTDP1KDRABCB1
Echinatin SCHEMBL29466900 0.82 CTSL (1.00) CTSLCTSBTDP1CYP1A1CYP1B1
Echinatin SCHEMBL618086 0.82 CTSL (1.00) CTSLCTSBTDP1CYP1A1CYP1B1
Echinatin SCHEMBL7193984 0.82 CTSL (1.00) CTSLCTSBTDP1CYP1A1CYP1B1
SCHEMBL19782822 0.81 KDR (0.78) KDRABCB1MAOB
SCHEMBL26113846 0.79 CTSB (0.86) CTSLCTSBTDP1CYP1A1CYP1B1
SCHEMBL20340332 0.77 CTSL (0.84) CTSLCTSBTDP1CYP1A1CYP1B1
SCHEMBL20340331 0.77 CTSL (0.84) CTSLCTSBTDP1CYP1A1CYP1B1
SCHEMBL28817357 0.76 MAOB (0.62) CTSLCTSBKDRABCB1PTPN1
SCHEMBL28817356 0.76 MAOB (0.62) CTSLCTSBKDRABCB1PTPN1

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
CN-114051408-B Composition for preventing, ameliorating, or treating cancer 梨花女子大学校产学协力团 2025-02-07 — — CN disclosed
EP-3977988-A1 COMPOSITION FOR PREVENTION, AMELIORATION, OR TREATMENT OF CANCER Ewha University-Industry Collaboration Foundation (KR) 2022-04-06 — — EP disclosed
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