SCHEMBL28093368

SCHEMBL28093368

CC1(C)COc2ccc(-c3ccccc3O)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.50
▸ ESR2 Q92731 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NR0B1 P51843 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RARB P10826 6/20 0.40
▸ RARG P13631 6/20 0.40
▸ RARA P10276 4/20 0.40

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
SCHEMBL28093367 0.78 NOTUM (0.55) NOTUMESR2MEN1KMT2ARARB
SCHEMBL7793710 0.75 RARB (0.62) ESR2RARBRARGRARARXRA
SCHEMBL8982307 0.74 NOTUM (0.49) NOTUMMAPTRARBRARGRARA
SCHEMBL18165267 0.73 NOTUM (0.42) NOTUMPGRBACE1APP
SCHEMBL28085951 0.72 ALDH1A1 (0.34) MEN1KMT2ASMN1; SMN2BCL2L1ALDH1A1
SCHEMBL27951061 0.72 PGR (0.46) ESR2MEN1NPC1NFKB1RAB9A
SCHEMBL21776892 0.71 NOTUM (0.61) NOTUMNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL27466656 0.71 BCL2L1 (0.59) ESR2MEN1NPC1USP2LMNA
SCHEMBL28076731 0.71 MAPT (0.63) ESR2MEN1NPC1USP2LMNA
SCHEMBL626173 0.70 ESR2 (0.46) ESR2BCL2L1ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103596943-B Hydantoin derivatives useful as KV3 inhibitors 奥蒂福尼疗法有限公司 2016-10-12 — — CN disclosed
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