SCHEMBL9683779

SCHEMBL9683779

CCC(C)c1cccc(C(C)CC)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RORC P51449 1/20 0.37
GABRA1 P14867 3/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CYP3A4 P08684 3/20 0.36
GABRB2 P47870 2/20 0.36
CYP1A2 P05177 2/20 0.36
SLC6A2 P23975 2/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL300990 0.94 TSHR (0.50) TSHRHPGDUSP2ALDH1A1GAA
SCHEMBL10798080 0.87 TSHR (0.48) TSHRHPGDUSP2ALDH1A1GAA
SCHEMBL250536 0.86 TSHR (0.47) TSHRHPGDUSP2ALDH1A1GAA
SCHEMBL27511455 0.86 TSHR (0.68) TSHRHPGDUSP2ALDH1A1GAA
SCHEMBL398716 0.86 TSHR (0.47) TSHRHPGDUSP2ALDH1A1GAA
SCHEMBL22081599 0.82 TSHR (0.48) TSHRHPGDUSP2ALDH1A1GAA
SCHEMBL11420568 0.82 TSHR (0.38) TSHRHPGDALDH1A1GAAGABRA1
SCHEMBL24781618 0.81 P2RX7 (0.44) TSHRRORCHTR2CHTR2BAR
SCHEMBL20621249 0.81 TSHR (0.43) TSHRHPGDUSP2ALDH1A1GAA
Methane SCHEMBL28472323 0.80 TSHR (0.46) TSHRALDH1A1PKMHSD17B10GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022097609-A1 9,9-BIS (3,5-DIALKYL-4-AMINOPHENYL) FLUORENE COMPOUND PRODUCTION METHOD 東レ・ファインケミカル株式会社 2022-05-12 WO disclosed
EP-0492473-A1 Process for the preparation of 4-substituted 2,6-dialkylanilines LONZA AG (CH) 1992-07-01 EP disclosed
US-4289906-A Chemical process for preparing methylene bis-anilines ETHYL CORPORATION (US) 1981-09-15 US disclosed
US-4194008-A INSECTICIDE, FUNGICIDE, MITICIDE, PARASITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-03-18 US disclosed
US-4173645-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-11-06 US disclosed
EP-0000365-A1 N-aryl-N'-alcoyl-S-alcoyl isothioureas, process for their preparation and their use against animal and vegetal pests BAYER AG (DE) 1979-01-24 EP disclosed
US-3983174-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-09-28 US disclosed