SCHEMBL9870372

SCHEMBL9870372

CCN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccccc4)c3c2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.61
HSD17B10 Q99714 7/20 0.61
KDM4E B2RXH2 11/20 0.56
ALDH1A1 P00352 8/20 0.53
POLB P06746 1/20 0.52
HSP90AA1 P07900 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
LMNA P02545 2/20 0.50
PMP22 Q01453 1/20 0.50
MAPT P10636 1/20 0.50
TOP2A P11388 4/20 0.47
TOP2B Q02880 3/20 0.47
TOP1 P11387 2/20 0.47
ADRA2B P18089 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALB P02768 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL10913380 0.93 KDM4E (0.55) HPGDHSD17B10KDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL9870882 0.92 KDM4E (0.54) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL10914433 0.92 HPGD (0.55) HPGDHSD17B10KDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL9870344 0.91 HPGD (0.54) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL9870287 0.89 KDM4E (0.67) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL10374981 0.89 HPGD (0.75) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL9869653 0.88 PIM1 (0.51) HPGDHSD17B10KDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL9870743 0.88 KDM4E (0.66) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL10374985 0.88 HPGD (0.74) HPGDHSD17B10KDM4EALDH1A1POLB
SCHEMBL10373633 0.87 HPGD (0.60) HPGDHSD17B10KDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4981854-A BACTERICIDES, ANIMAL GROWTH REGUALTORS BAYER AKTIENGESELLSCHAFT (DE) 1991-01-01 US disclosed
US-4980353-A BACTERICIDES, ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1990-12-25 US disclosed