SCHEMBL11601269

SCHEMBL11601269

CC(Br)OC(=O)c1ccccc1NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.46
▸ GLA P06280 1/20 0.46
▸ ALDH1A1 P00352 9/20 0.45
▸ HPGD P15428 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ADRA1A P35348 3/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ AGTR1 P30556 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HSD17B10 Q99714 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.40

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
SCHEMBL10777119 0.88 ADRA1A (0.55) KDM4EGLAALDH1A1HPGDKMT2A
SCHEMBL11168970 0.82 ADRA1A (0.47) KDM4EGLAALDH1A1HPGDKMT2A
SCHEMBL2707530 0.82 KDM4E (0.66) KDM4EGLAALDH1A1KMT2ALMNA
SCHEMBL11800788 0.81 KDM4E (0.46) KDM4EGLAALDH1A1HPGDKMT2A
SCHEMBL11795717 0.79 KDM4E (0.45) KDM4EGLAALDH1A1HPGDKMT2A
SCHEMBL1203726 0.78 TSHR (0.61) KDM4EALDH1A1KMT2ALMNAADRA1A
SCHEMBL9716704 0.77 KDM4E (0.49) KDM4EGLAALDH1A1HPGDKMT2A
SCHEMBL219602 0.77 ADRA1A (0.55) KDM4EGLAALDH1A1HPGDKMT2A
SCHEMBL690246 0.75 KDM4E (0.53) KDM4EGLAALDH1A1HPGDKMT2A
SCHEMBL11819594 0.75 KDM4E (0.46) KDM4EGLAALDH1A1HPGDKMT2A

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-4111933-A PROTECTION OF FUNCTIONAL GROUPS DURING REACTION AND THEIR SUBSEQUENT RESTORATION BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 — — US disclosed
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