SCHEMBL27316752

SCHEMBL27316752

COC(C)(C)c1ccc(C(=O)NC(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ HDAC4 P56524 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ XDH P47989 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ ACACB O00763 1/20 0.41
▸ B3GNT2 Q9NY97 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.41

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
SCHEMBL12377330 0.83 NR1H4 (0.63) MLYCDALDH1A1LMNACYP1A2ALOX15
SCHEMBL8590217 0.82 MLYCD (0.70) MLYCDALDH1A1LMNACYP1A2ALOX15
SCHEMBL27316457 0.80 MLYCD (0.69) MLYCDALDH1A1LMNACYP1A2ALOX15
SCHEMBL5177242 0.79 CA1 (0.55) ALDH1A1MAPTXDHRAB9A
SCHEMBL13753396 0.79 MLYCD (0.61) MLYCDALDH1A1LMNACYP1A2ALOX15
SCHEMBL12251427 0.78 MLYCD (0.71) MLYCDALDH1A1LMNACYP1A2ALOX15
SCHEMBL20017287 0.78 MLYCD (0.61) MLYCDALDH1A1LMNACYP1A2ALOX15
SCHEMBL13753393 0.77 MAPT (0.62) MLYCDALDH1A1LMNACYP1A2ALOX15
SCHEMBL103563 0.77 SRD5A2 (0.57) ALDH1A1CYP1A2NR1H4EPHX2
SCHEMBL10052242 0.77 MLYCD (0.63) MLYCDALDH1A1LMNACYP1A2ALOX15

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
WO-2024028243-A1 PYRAZOLO PESTICIDAL COMPOUNDS BASF SE (DE) 2024-02-08 — — WO disclosed
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