SCHEMBL6843353

SCHEMBL6843353

O=C(CC1(C[N+](=O)[O-])CCCCC1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 3/20 0.41
HPGD P15428 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
KMT2A Q03164 3/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL394093 0.83 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1HPGDCTSL
SCHEMBL14148977 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1MAPTCTSL
SCHEMBL2972573 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1HPGDKMT2A
Hydrochloric Acid SCHEMBL14108563 0.81 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1MAPTCTSL
SCHEMBL395429 0.81 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1MAPTCTSL
SCHEMBL394616 0.80 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1MAPTCTSL
SCHEMBL3399492 0.80 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1MAPTCTSL
SCHEMBL6839000 0.80 CRHBP (0.38) ALDH1A1HPGDKMT2ASLC6A2SLC6A3
SCHEMBL27709698 0.79 ALDH1A1 (0.51) ALDH1A1CTSLCTSBKMT2AMEN1
SCHEMBL25991 0.77 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1MAPTCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6765114-B1 CATALYTIC HYDROGENATION OF NITRO DERIVATIVE; ECONOMICAL; SIMPLE RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2004-07-20 US claimed
EP-1140793-B1 PROCESS FOR THE SYNTHESIS OF 1-(AMINOMETHYL)CYCLOHEXYL-ACETIC ACID RICHTER GEDEON VEGYESZET (HU) 2003-09-24 EP claimed
EP-1140793-A1 PROCESS FOR THE SYNTHESIS OF 1-(AMINOMETHYL)CYCLOHEXYL-ACETIC ACID RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2001-10-10 EP claimed
WO-2000039074-A1 PROCESS FOR THE SYNTHESIS OF 1-(AMINOMETHYL)CYCLOHEXYL-ACETIC ACID Richter Gedeon Vegyészeti Gyár Rt. (HU) 2000-07-06 WO claimed
CN-1221525-C Process for the synthesis of 1-(aminomethyl) cyclohexyl-acetic acid RICHTER GEDEON VEGY ZETI GY & (HU) 2005-10-05 CN disclosed
US-6765114-B1 CATALYTIC HYDROGENATION OF NITRO DERIVATIVE; ECONOMICAL; SIMPLE RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2004-07-20 US disclosed
EP-1140793-B1 PROCESS FOR THE SYNTHESIS OF 1-(AMINOMETHYL)CYCLOHEXYL-ACETIC ACID RICHTER GEDEON VEGYESZET (HU) 2003-09-24 EP disclosed
CN-1325378-A Process for the synthesis of 1-(aminomethyl) cyclohexyl-acetic acid RICHTER GEDEON VEGY ZETI GY & (HU) 2001-12-05 CN disclosed
EP-1140793-A1 PROCESS FOR THE SYNTHESIS OF 1-(AMINOMETHYL)CYCLOHEXYL-ACETIC ACID RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2001-10-10 EP disclosed
WO-2000039074-A1 PROCESS FOR THE SYNTHESIS OF 1-(AMINOMETHYL)CYCLOHEXYL-ACETIC ACID Richter Gedeon Vegyészeti Gyár Rt. (HU) 2000-07-06 WO disclosed