SCHEMBL8229967

SCHEMBL8229967

COc1ccc(C(NC=O)(OCc2cccc3c2Cc2ccccc2-3)c2ccc(O)cc2)c(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CD274 Q9NZQ7 3/20 0.33
▸ MIF P14174 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP26A1 O43174 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PNMT P11086 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ TAS1R2 Q8TE23 1/20 0.33
▸ CES2 O00748 1/20 0.32

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
SCHEMBL14714715 0.78 RAB9A (0.36) RAB9ANPC1PKMKDM4EALDH1A1
SCHEMBL7860715 0.68 KMT2A (0.42) RAB9ANPC1PKMKDM4EALDH1A1
SCHEMBL31075128 0.67 ALDH1A1 (0.32) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5188476 0.66 RAB9A (0.40) RAB9ANPC1PKMKDM4EALDH1A1
SCHEMBL26105549 0.65 ESR1 (0.47) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL28918336 0.65 PNMT (0.43) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL28483707 0.64 PNMT (0.57) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL31346823 0.64 PNMT (0.57) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL8672207 0.64 PNMT (0.53) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL456019 0.63 PNMT (0.62) RAB9ANPC1KDM4EALDH1A1MAPT

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
US-6051685-A MODIFIED TRIPEPTIDE OF TYROSINE-D-ARGININE-PHENYLALANINE OR SALT WITH AMIDINO GROUP AT N-TERMINAL; ANALGESIC WHICH ACTS THROUGH ACTIONS OF OPIOID RECEPTORS; WITH SIDE EFFECT REDUCTION FOR USE IN TREATING CANCEROUS PAIN DAIICHI PHARMACEUTICALS CO., LTD. (JP) 2000-04-18 — — US disclosed
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