SCHEMBL28591823

SCHEMBL28591823

C=C(CCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.43
▸ KDM4C Q9H3R0 2/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ PHF8 Q9UPP1 1/20 0.38
▸ KDM2A Q9Y2K7 1/20 0.38
▸ RARB P10826 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ DEGS1 O15121 1/20 0.32
▸ NAAA Q02083 1/20 0.32
▸ DGKA P23743 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 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
SCHEMBL27557878 1.00 TSHR (0.43) TSHRKDM4CKDM4APHF8KDM2A
SCHEMBL28016187 1.00 TSHR (0.43) TSHRKDM4CKDM4APHF8KDM2A
SCHEMBL27518791 1.00 TSHR (0.43) TSHRKDM4CKDM4APHF8KDM2A
SCHEMBL27626098 1.00 TSHR (0.43) TSHRKDM4CKDM4APHF8KDM2A
SCHEMBL27646584 0.97 TSHR (0.43) TSHRKDM4CKDM4APHF8KDM2A
SCHEMBL18815161 0.94 TSHR (0.54) TSHRNAAADGKANPSR1
SCHEMBL28365030 0.94 TSHR (0.54) TSHRNAAADGKANPSR1
SCHEMBL27646653 0.94 TSHR (0.54) TSHRNAAADGKANPSR1
SCHEMBL9929476 0.94 TSHR (0.54) TSHRNAAADGKANPSR1
SCHEMBL27962621 0.94 TSHR (0.54) TSHRNAAADGKANPSR1

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-113130113-A Conductive material composition and conductive material prepared from same 财团法人工业技术研究院 2021-07-16 — — CN disclosed
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