SCHEMBL29010004

SCHEMBL29010004

CC(C(=O)O)c1c(C(F)F)cccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 11/20 0.44
AKR1C2 P52895 11/20 0.44
P2RX7 Q99572 1/20 0.41
PTGS2 P35354 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C1 Q04828 1/20 0.40
ACP3 P15309 1/20 0.38
CNR2 P34972 1/20 0.38
CXCL8 P10145 1/20 0.35
POLQ O75417 1/20 0.35
CTSS P25774 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL30428096 0.87 AKR1C3 (0.50) AKR1C3AKR1C2P2RX7PTGS2AKR1C4
SCHEMBL29285291 0.79 AKR1C3 (0.45) AKR1C3AKR1C2AKR1C4AKR1C1POLQ
SCHEMBL194437 0.78 AKR1C3 (0.52) AKR1C3AKR1C2P2RX7PTGS2ACP3
SCHEMBL30428161 0.78 AKR1C3 (0.52) AKR1C3AKR1C2P2RX7PTGS2ACP3
SCHEMBL29010042 0.78 PTGS2 (0.45) AKR1C3AKR1C2PTGS2AKR1C4AKR1C1
SCHEMBL30427701 0.78 PTGS2 (0.45) AKR1C3AKR1C2PTGS2AKR1C4AKR1C1
SCHEMBL14661316 0.76 P2RX7 (0.61) AKR1C3AKR1C2P2RX7PTGS2AKR1C4
SCHEMBL6675162 0.71 LMNA (0.43) AKR1C3AKR1C2ACP3CNR2POLQ
SCHEMBL6675154 0.71 LMNA (0.43) AKR1C3AKR1C2ACP3CNR2POLQ
SCHEMBL6701791 0.71 LMNA (0.43) AKR1C3AKR1C2ACP3CNR2POLQ

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116209433-B Small molecule albumin binding agents 俄勒冈健康科学大学 2025-05-23 CN disclosed
CN-116209433-A Small molecule albumin binding agents 俄勒冈健康科学大学 2023-06-02 CN disclosed