SCHEMBL31474569

SCHEMBL31474569

Cc1cccc(C(=O)O)n1.[Ir]

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.67
ALOX15 P16050 1/20 0.67
TSHR P16473 1/20 0.67
ACMSD Q8TDX5 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
P2RX7 Q99572 1/20 0.58
GRM5 P41594 2/20 0.55
LMNA P02545 3/20 0.52
ECE1 P42892 1/20 0.50
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MGAM O43451 1/20 0.48
RAB9A P51151 1/20 0.47
GNE Q9Y223 1/20 0.46
CCR1 P32246 1/20 0.44
CCR8 P51685 1/20 0.44
MEN1 O00255 1/20 0.44
NAPRT Q6XQN6 1/20 0.43
P4HTM Q9NXG6 1/20 0.43

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
SCHEMBL118409 0.98 KDM4E (0.70) KDM4EALOX15TSHRACMSDTDP1
Hydrochloric Acid SCHEMBL2298503 0.96 KDM4E (0.67) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL5685849 0.96 KDM4E (0.67) KDM4EALOX15TSHRACMSDTDP1
Hydrochloric Acid SCHEMBL17371709 0.94 KDM4E (0.64) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL2841904 0.86 ECE1 (0.63) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL28041757 0.84 KDM4E (0.52) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL6248220 0.82 CYP1A2 (0.72) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL1958309 0.82 P2RX7 (0.62) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL2237588 0.82 P2RX7 (0.62) KDM4EALOX15TSHRACMSDTDP1
Dipicolinic Acid SCHEMBL34595 0.81 KDM4E (1.00) KDM4EALOX15TSHRACMSDTDP1

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-119591507-A Gem-difluorocyclopentane compounds and methods of synthesizing the same 南通大学 2025-03-11 CN claimed
CN-119591507-A Gem-difluorocyclopentane compounds and methods of synthesizing the same 南通大学 2025-03-11 CN disclosed