Benzene

Benzene

SCHEMBL29010033

O=C(O)C(F)CF.c1ccccc1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
FOLH1 Q04609 5/20 0.37
CYP1A2 P05177 1/20 0.32
PTGS1 P23219 2/20 0.31
PTGS2 P35354 1/20 0.31
CYP2D6 P10635 1/20 0.31
SRC P12931 1/20 0.31
ALPI P09923 1/20 0.30
PKM P14618 1/20 0.30
XIAP P98170 1/20 0.30
SLC7A5 Q01650 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL1708125 0.94
SCHEMBL6917290 0.91
SCHEMBL6915865 0.91
SCHEMBL6914439 0.91
SCHEMBL6913459 0.91
SCHEMBL6917240 0.91
SCHEMBL6913731 0.91
SCHEMBL6915387 0.91
SCHEMBL6913456 0.91
SCHEMBL27657852 0.85 PTGS2 (0.38) MAPTCYP1A2PTGS1PTGS2PKM

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-116209433-A Small molecule albumin binding agents 俄勒冈健康科学大学 2023-06-02 CN disclosed