SCHEMBL30928360

SCHEMBL30928360

Cc1cccc(C)c1OBOF

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 9/20 0.35
CYP1A2 P05177 3/20 0.35
LMNA P02545 2/20 0.35
SCN1A P35498 2/20 0.35
SCN5A Q14524 2/20 0.35
SCN9A Q15858 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
NFKB1 P19838 2/20 0.35
CYP2C9 P11712 1/20 0.35
KCNK3 O14649 1/20 0.35
CACNA1F O60840 1/20 0.35
KCNK2 O95069 1/20 0.35
GBA1 P04062 1/20 0.35
MAOA P21397 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35
SCN7A Q01118 1/20 0.35

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
SCHEMBL840457 0.85 CYP1A2 (0.41) SCN4ACYP1A2LMNASCN1ASCN5A
SCHEMBL18729531 0.72 CYP1A2 (0.43) SCN4ACYP1A2LMNASCN1ASCN5A
SCHEMBL3437802 0.71 ALDH1A1 (0.42) SCN4ACYP1A2LMNASCN1ASCN5A
SCHEMBL14120688 0.70 CA12 (0.37) SCN4ACYP1A2LMNASCN1ASCN5A
SCHEMBL145464 0.69 ALDH1A1 (0.48) SCN4ACYP1A2LMNASCN1ASCN5A
SCHEMBL6140636 0.67 ALDH1A1 (0.42) SCN4ACYP1A2LMNASCN1ASCN5A
SCHEMBL19370567 0.67 SCN4A (0.38) SCN4ACYP1A2LMNASCN1ASCN5A
SCHEMBL437049 0.66 HSP90AA1 (0.50) SCN4ACYP1A2LMNASCN1ASCN5A
SCHEMBL19785122 0.65 SCN4A (0.42) SCN4ACYP1A2LMNASCN1ASCN5A
SCHEMBL256845 0.65 ACHE (0.50) SCN4ACYP1A2LMNASCN1ASCN5A

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-118184915-A Propylene and alpha-olefin multi-block copolymer elastomer material, and preparation method and application thereof 天津大学 2024-06-14 CN claimed