SCHEMBL6561558

SCHEMBL6561558

C=CCNC(=O)C12CC3CC(C1)CC(C(=O)NCC=C)(C3)C2

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ TSHR P16473 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ THRB P10828 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ LMNA P02545 1/20 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
SCHEMBL6559314 0.89 KMT2A (0.49) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL25561721 0.85 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL6561602 0.83 KMT2A (0.47) KMT2AMEN1ALDH1A1TSHRTHRB
SCHEMBL10144698 0.79 LMNA (0.60) KMT2AMEN1LMNA
SCHEMBL25561712 0.79 KDM4E (0.44) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL13383883 0.72 LMNA (0.50) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL12858095 0.71 TSHR (0.54) KMT2AMEN1ALDH1A1TSHRTHRB
Hydrochloric Acid SCHEMBL7107179 0.70 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL26928719 0.70 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL13895393 0.69 PKM (0.48) KMT2AMEN1ALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915077-B1 POLYMERIZABLE ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME DAICEL CHEM (JP) 2004-11-17 — — EP disclosed
US-6235851-B1 ESTERIFICATION OR AMIDATION REACTION OF AN ADAMANTANE DERIVATIVE; GROUP 3A METAL CATALYST DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 — — US disclosed
EP-0915077-A1 POLYMERIZABLE ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Daicel Chemical Industries, Ltd. (JP) 1999-05-12 — — EP disclosed
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