SCHEMBL7877368

SCHEMBL7877368

C=CCc1cc(C(C)(C)NCC(O)Cn2ccnc2)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ADRB2 P07550 3/20 0.39
ADRB1 P08588 3/20 0.39
ADRB3 P13945 3/20 0.39
POLB P06746 1/20 0.37
CYP19A1 P11511 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 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
SCHEMBL8646722 0.80 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8646715 0.76 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7868757 0.71 IDH1 (0.38) POLBKDM4E
SCHEMBL7868666 0.70 ADRA2C (0.46) LMNACYP19A1
SCHEMBL7877354 0.70 CCR5 (0.40) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL10634796 0.68 ADRB2 (0.47) ADRB2ADRB1
SCHEMBL7879607 0.68 ADRB1 (0.52) ALDH1A1MEN1KMT2AADRB2ADRB1
SCHEMBL17141586 0.67 HTR2C (0.51)
SCHEMBL7877031 0.66 AGER (0.47) MEN1KMT2APOLB
SCHEMBL10753050 0.66 HMOX1 (0.40) ADRB2CYP19A1FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed