SCHEMBL11833763

SCHEMBL11833763

Cc1cccc(C)c1OCC(O)COc1cccc2oc(C(=O)O)cc(=O)c12.[Na]

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.81
LMNA P02545 1/20 0.81
TDP1 Q9NUW8 1/20 0.81
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
HIF1A Q16665 1/20 0.64
TSHR P16473 1/20 0.43
ADRB2 P07550 2/20 0.42
NMT2 O60551 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
NMT1 P30419 1/20 0.42
ABCG2 Q9UNQ0 6/20 0.41
ABCB1 P08183 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL11832747 0.93 GPR35 (0.83) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11830195 0.91 GPR35 (0.84) GPR35LMNATDP1MEN1KMT2A
Cromolyn SCHEMBL8662365 0.91 GPR35 (0.97) GPR35LMNATDP1MEN1KMT2A
Cromolyn SCHEMBL29353205 0.90 GPR35 (1.00) GPR35LMNATDP1MEN1KMT2A
Cromolyn SCHEMBL29352570 0.90 GPR35 (1.00) GPR35LMNATDP1MEN1KMT2A
Cromolyn SCHEMBL3865 0.90 GPR35 (1.00) GPR35LMNATDP1MEN1KMT2A
Cromolyn SCHEMBL318268 0.89 GPR35 (0.97) GPR35LMNATDP1MEN1KMT2A
Cromolyn SCHEMBL4108171 0.89 GPR35 (0.97) GPR35LMNATDP1MEN1KMT2A
Cromolyn SCHEMBL8199 0.89 GPR35 (0.97) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11833752 0.88 GPR35 (0.83) GPR35LMNATDP1MEN1KMT2A

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
US-3953604-A INHALATION, ANTI-ASTHMA MILES LABORATORIES, INC. (US) 1976-04-27 US disclosed