SCHEMBL11262957

SCHEMBL11262957

CC(CCCCC(=O)O)NCC(O)c1ccc(O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.60
▸ ADRB2 P07550 9/20 0.60
▸ MAPT P10636 8/20 0.60
▸ TDP1 Q9NUW8 8/20 0.60
▸ HSD17B10 Q99714 8/20 0.60
▸ TSHR P16473 5/20 0.60
▸ CYP1A2 P05177 5/20 0.60
▸ HIF1A Q16665 5/20 0.60
▸ BLM P54132 4/20 0.60
▸ MAPK1 P28482 4/20 0.60
▸ NFKB1 P19838 4/20 0.60
▸ LMNA P02545 4/20 0.60
▸ GAA P10253 4/20 0.60
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ POLB P06746 3/20 0.60
▸ RXFP1 Q9HBX9 3/20 0.60
▸ CYP3A4 P08684 3/20 0.60
▸ PMP22 Q01453 2/20 0.60
▸ TP53 P04637 1/20 0.60

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
Oxalic Acid SCHEMBL8564305 0.82 ADRB2 (0.56) KDM4EADRB2MAPTTDP1HSD17B10
Oxalic Acid SCHEMBL8564309 0.82 ADRB2 (0.56) KDM4EADRB2MAPTTDP1HSD17B10
Oxalic Acid SCHEMBL8595705 0.82 ADRB2 (0.56) KDM4EADRB2MAPTTDP1HSD17B10
Oxalic Acid SCHEMBL8611894 0.82 ADRB2 (0.56) KDM4EADRB2MAPTTDP1HSD17B10
Oxalic Acid SCHEMBL8559556 0.82 ADRB2 (0.56) KDM4EADRB2MAPTTDP1HSD17B10
Oxalic Acid SCHEMBL8558850 0.82 ADRB2 (0.56) KDM4EADRB2MAPTTDP1HSD17B10
SCHEMBL8562122 0.80 ADRB2 (0.61) KDM4EADRB2MAPTTDP1HSD17B10
SCHEMBL8559213 0.80 ADRB2 (0.61) KDM4EADRB2MAPTTDP1HSD17B10
SCHEMBL8562119 0.80 ADRB2 (0.61) KDM4EADRB2MAPTTDP1HSD17B10
SCHEMBL8559210 0.80 ADRB2 (0.61) KDM4EADRB2MAPTTDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337207-A ADRENERGIC STIMULANTS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1982-06-29 — — US claimed
US-4337207-A ADRENERGIC STIMULANTS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1982-06-29 — — US disclosed
US-4337207-A ADRENERGIC STIMULANTS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1982-06-29 — — US disclosed
Send feedback