SCHEMBL28590980

SCHEMBL28590980

CC(C)CCCCCCCOP(O)OCCCCCCCC(C)C.OP(O)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 1/20 0.39
▸ HPGD P15428 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.35
▸ KCNA3 P22001 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.33
▸ PPIA P62937 1/20 0.33
▸ FUT7 Q11130 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GPR88 Q9GZN0 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
SCHEMBL10593507 0.91 RARB (0.40) RARBHPGDTDP1KCNA3NR1H4
SCHEMBL28954377 0.91 RARB (0.40) RARBHPGDTDP1KCNA3NR1H4
SCHEMBL4392729 0.91 RARB (0.40) RARBHPGDTDP1KCNA3NR1H4
SCHEMBL97483 0.91 RARB (0.40) RARBHPGDTDP1KCNA3NR1H4
SCHEMBL11606938 0.90 RARB (0.38) RARBHPGDTDP1KCNA3NR1H4
SCHEMBL27486228 0.86 LTA4H (0.41) RARBLMNAALDH1A1HTTMAPK1
SCHEMBL28140023 0.86 RARB (0.37) RARBHPGDTDP1KCNA3NR1H4
Biphenyl SCHEMBL28748782 0.85 RARB (0.46) RARBHPGDPPIAHDAC3HDAC4
Biphenyl SCHEMBL27594685 0.85 RARB (0.46) RARBHPGDPPIAHDAC3HDAC4
Benzene SCHEMBL28373542 0.84 RARB (0.38) RARBHPGDPPIAFUT7LMNA

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-105026438-B Reduction of aldehydes in amine catalysts 亨斯迈石油化学有限责任公司 2021-07-06 — — CN disclosed
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