SCHEMBL8977352

SCHEMBL8977352

CC1CCCC(N(C)C(=O)Cl)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.33
FAAH O00519 1/20 0.31
PHGDH O43175 1/20 0.31
MGLL Q99685 1/20 0.31
JAK3 P52333 1/20 0.31
ATM Q13315 1/20 0.31
LMNA P02545 1/20 0.31
EPHX1 P07099 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30

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
SCHEMBL9957386 0.84
SCHEMBL24511542 0.83 ATM (0.34) ALDH1A1TSHRHPGDFAAHPHGDH
SCHEMBL8054344 0.82 FAAH (0.45) ALDH1A1TSHRHPGDFAAHPHGDH
SCHEMBL427210 0.80 FAAH (0.48) ALDH1A1TSHRHPGDFAAHPHGDH
SCHEMBL8977229 0.80 FAAH (0.48) ALDH1A1TSHRHPGDFAAHPHGDH
Hydrochloric Acid SCHEMBL27363305 0.80 EPHX1 (0.33) ALDH1A1JAK3EPHX1
SCHEMBL7105501 0.78 FAAH (0.47) ALDH1A1TSHRHPGDFAAHPHGDH
SCHEMBL8977378 0.78 ALDH1A1 (0.38) ALDH1A1TSHRHPGDEPHX1
SCHEMBL8053344 0.77
SCHEMBL8977278 0.75 L3MBTL1 (0.36) ALDH1A1TSHRLMNANPC1RAB9A

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
EP-0708097-A1 Herbicidally active tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-04-24 EP disclosed