SCHEMBL20054844

SCHEMBL20054844

CCCC(C)C(C(=O)O)C1(c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.39
▸ OPRM1 P35372 2/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ OPRL1 P41146 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ PPARG P37231 2/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SLC6A9 P48067 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CCR1 P32246 1/20 0.35

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
SCHEMBL19647087 0.80 AKR1C1 (0.40) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL14402615 0.74 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL13849911 0.74 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL19647226 0.72 OPRM1 (0.41) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL19647052 0.72 OPRM1 (0.41) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL27742157 0.70 AKR1C1 (0.42) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL6228602 0.69 OPRM1 (0.40) OPRM1OPRL1ALDH1A1SLC6A2SLC6A3
SCHEMBL14962755 0.69 HSP90AA1 (0.37) OPRM1OPRL1ALDH1A1SLC6A2SLC6A3
SCHEMBL20054995 0.69 OPRM1 (0.37) OPRM1OPRD1OPRK1OPRL1SLC6A2
SCHEMBL16015556 0.68 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1ALDH1A1

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-3327027-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF Pfizer Inc (US) 2018-05-30 — — EP disclosed
EP-2780039-B9 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2018-04-18 — — EP disclosed
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