SCHEMBL24016857

SCHEMBL24016857

Cc1ccccc1C(=O)N1CCCC(C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ UBE2M P61081 2/20 0.44
▸ DCUN1D1 Q96GG9 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PRMT5 O14744 2/20 0.39
▸ WDR77 Q9BQA1 2/20 0.39
▸ MAPT P10636 2/20 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
SCHEMBL18609695 1.00 HSD17B10 (0.46) HSD17B10RXFP1ALDH1A1UBE2MDCUN1D1
SCHEMBL14959019 1.00 HSD17B10 (0.46) HSD17B10RXFP1ALDH1A1UBE2MDCUN1D1
SCHEMBL15088271 0.95 RXFP1 (0.44) HSD17B10RXFP1ALDH1A1UBE2MDCUN1D1
SCHEMBL12176062 0.94 RXFP1 (0.42) HSD17B10RXFP1ALDH1A1UBE2MDCUN1D1
SCHEMBL12176191 0.93 ALDH1A1 (0.43) HSD17B10RXFP1ALDH1A1UBE2MDCUN1D1
SCHEMBL18532606 0.93 ALDH1A1 (0.43) HSD17B10RXFP1ALDH1A1UBE2MDCUN1D1
SCHEMBL12074050 0.93 ALDH1A1 (0.43) HSD17B10RXFP1ALDH1A1UBE2MDCUN1D1
SCHEMBL18790105 0.93 ALDH1A1 (0.43) HSD17B10RXFP1ALDH1A1UBE2MDCUN1D1
SCHEMBL12160772 0.92 HSD17B10 (0.53) HSD17B10RXFP1ALDH1A1UBE2MDCUN1D1
SCHEMBL2591188 0.92 HSD17B10 (0.53) HSD17B10RXFP1ALDH1A1UBE2MDCUN1D1

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
EP-3508477-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2021-11-10 — — EP disclosed
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