SCHEMBL8029191

SCHEMBL8029191

O=C(c1cc[nH]c1)N1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.62
ALDH1A1 P00352 3/20 0.62
USP2 O75604 1/20 0.50
TSHR P16473 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.46
EPHX2 P34913 1/20 0.46
MLYCD O95822 1/20 0.46
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.45

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
SCHEMBL8021587 0.98 HPGD (0.59) HPGDALDH1A1USP2TSHRMEN1
SCHEMBL1892277 0.94 HPGD (0.53) HPGDALDH1A1USP2MEN1KMT2A
SCHEMBL27468382 0.84 POLB (0.57) HPGDTSHRMEN1KMT2ALMNA
SCHEMBL5160787 0.78 HPGD (0.41) HPGDALDH1A1KMT2ALMNA
SCHEMBL7132525 0.78 HPGD (1.00) HPGDALDH1A1USP2TSHRMEN1
SCHEMBL27479149 0.78 HPGD (1.00) HPGDALDH1A1USP2TSHRMEN1
SCHEMBL5158396 0.76 NPC1 (0.38) HPGDALDH1A1KMT2ALMNAEPHX2
SCHEMBL17665119 0.76 EPHX2 (0.48) HPGDTSHRMEN1KMT2ALMNA
SCHEMBL10721733 0.75 HPGD (0.95) HPGDALDH1A1USP2TSHRMEN1
Pyrrole SCHEMBL1583001 0.75 HPGD (0.79) HPGDALDH1A1USP2TSHRMEN1

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
WO-2000037074-A1 MUTILIN 14-ESTER DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-06-29 WO disclosed