Formic Acid

Formic Acid

SCHEMBL27693233

O=C(NC1CCC1)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)cc1F.O=CO

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.44
DRD4 P21917 3/20 0.44
MRGPRX4 Q96LA9 3/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
IDH1 O75874 1/20 0.41
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
CRHR1 P34998 4/20 0.38
ACKR3 P25106 1/20 0.37
P2RX1 P51575 1/20 0.37
P2RX3 P56373 1/20 0.37
P2RX4 Q99571 1/20 0.37
P2RX7 Q99572 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL485567 0.96 CXCR2 (0.47) CXCR2DRD4MRGPRX4MAPTLMNA
SCHEMBL485934 0.95 CXCR2 (0.47) CXCR2DRD4MRGPRX4MAPTLMNA
Formic Acid SCHEMBL27693241 0.91 CXCR2 (0.44) CXCR2DRD4MRGPRX4MAPTLMNA
Formic Acid SCHEMBL27693419 0.89 MRGPRX4 (0.49) DRD4MRGPRX4MAPTLMNAPOLB
Formic Acid SCHEMBL27693221 0.88 KMT2A (0.42) CXCR2DRD4IDH1CNR1CNR2
SCHEMBL485399 0.88 CXCR2 (0.47) CXCR2DRD4MRGPRX4MAPTLMNA
Formic Acid SCHEMBL27713047 0.87 CXCR2 (0.58) CXCR2DRD4MRGPRX4CNR1CNR2
Bicarbonate SCHEMBL485911 0.86 CXCR2 (0.47) CXCR2DRD4MRGPRX4MAPTLMNA
SCHEMBL485738 0.84 MRGPRX4 (0.51) DRD4MRGPRX4MAPTLMNAPOLB
Bicarbonate SCHEMBL485873 0.83 MRGPRX4 (0.49) MRGPRX4MAPTLMNAPOLBCRHR1

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-101094830-A Fused bicyclic carboxamide derivatives for use as CXCR2 inhibitors in the treatment of inflammation SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-26 CN claimed
CN-101094830-A Fused bicyclic carboxamide derivatives for use as CXCR2 inhibitors in the treatment of inflammation SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-26 CN disclosed